Day: November 25, 2022

Usui, Yoshiro published the artcileFungicides. XII. Synthesis and antifungal activity of halogen-substituted phenylpyrazolone derivatives, HPLC of Formula: 14580-22-4, the publication is Yakugaku Zasshi (1967), 87(1), 38-42, database is CAplus and MEDLINE.

cf. CA 64: 14181e. A mixture of 1.5 g. I (X = 2,4,5-tri-Cl) and 0.9 g. Et acetoacetate is added to a mixture of 5 ml. AcOH and 5 ml. H2O, the whole heated 2 hrs., and 35 ml. H2O added to give 81% II, yellow needles, m. 58-60° (EtOH). I (0.02 mole) is heated in a mixture of 25 ml. AcOH and 10 ml. H2O with 0.02 mole Et acetoacetate for 2 hrs., the mixture evaporated in vacuo, the residue heated 5 hrs. with 25 ml. AcOH, evaporated in vacuo, and H2O added to the residue to give the following III (X, m.p., and % yield given): 2,3-di-Cl, 174-5°, 18; 2,6-di-Cl (red), 206°, 46; 2,4,5-tri-Cl (yellow), 199°, 81; 2,6-di-Br (yellow), 200-1°, 49. I (0.02 mole) and 0.02 mole Ac2O are added to 30 ml. C6H6, the whole boiled 3 hrs., cooled, and the precipitate recrystallized (C6H6) to give the following IV (X, m.p., and % yield given): 2-Cl, 118°, 62; 3-Cl, 131-2°, 62; 2,3-di-Cl, 136°, 73; 2,5-di-Cl, 159°, 97; 2,6-di-Cl, 153-5°, 93; 3,4-di-Cl, 168-71°, 77; 2,4,6-tri-Cl, 158°, 95.5; 2,6-di-Br, 158-61°, 58; 4-I, 159°, 74. PCl3 (1 mole) is dropped into a mixture of 1 mole each of IV and Et acetoacetate, the whole warmed 1.5 hrs. and poured into iced H2O, and the precipitate recrystallized from EtOH to give the following V (X, m.p., and % yield given): 2-Cl, 183-5°, 53; 3-Cl, 183°, 45; 4-Cl, 219-21°, 89; 2,3-di-Cl, 231-2°, 60; 2,6-di-Cl, 211-13°, 67; 3,4-di-Cl, yellow 208-9°, 76; 2,4,5-tri-Cl, yellow, 178-80°, 49; 2,4,6-tri-Cl, 193-4°, 49; 2,6-di-Br, 223-4°, 6.2; 4-I (brown), 214-16°, 37. Na (2.3 g.) is added to 40 ml. EtOH, boiled 17 hrs. with 6.2 g. Et cyanoacetate (VI) and 7.1 g. 4-chlorophenylhydrazine, and the mixture evaporated in vacuo. To the residue is added 120 ml. H2O, washed with Et2O, the residual aqueous solution neutralized with AcOH, and the solid recrystallized from MeOH to give 2.3 g. 1-(4-chlorophenyl)-3-aminopyrazolin-5-one, dark yellow needles, m. 169°. The use of Et cyclohexanone-2-carboxylate instead of VI in the above reaction gives 70% 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-3-indazolinone, m. 186-7° (EtOH). Similarly prepared is 1-(4-chlorophenyl)-4,5,6,7-tetrahydro-3-indazolinone, m. 217-19° (EtOH). The relation between the structure of these compounds and their antifungal activity was examined using Corticium sasakii. It was found that antifungal activity tended to become weaker in the order phenylhydrazines > β-acetylphenylhydrazines > phenylhydrazones > phenylpyrazolones, and with the increasing number of halogens substituted.

Yakugaku Zasshi published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C6H13I, HPLC of Formula: 14580-22-4.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Usui, Yoshiro published the artcileFungicides. XIII. Synthesis and antifungal activity of halogen-substituted phenylhydrazine derivatives and related compounds, Product Details of C10H9ClN2O, the publication is Yakugaku Zasshi (1967), 87(1), 43-65, database is CAplus and MEDLINE.

cf. CA 67: 11452h. Various kinds of halo-substituted phenylhydrazine derivatives and related compounds were synthesized and their bactericidal and fungicidal activities tested. Thus, 3,4-dichlorophenylhydrazine was dissolved in 10 volumes EtOH, equimolar HNO3 added, and the whole solution stirred 1 hr. to give 86% nitrate, m. 182° (decomposition) (EtOH). Similarly the sulfate, brown, m. 198° (decomposition) (H2O), was prepared in 44% yield. Also prepared were the following I (X, R, recrystallization solvent, and m.p. given): 2-Cl, CHO, EtOH, 148-9°; 3,4-di-Cl, CHO, EtOH, 136-7°; 4-Cl, C11H23CO, MeOH, 97-9°; 3,4-di-Cl, EtCO, C6H6, 149-50°; 3,4-di-Cl, PrCO, ligroine, 119-20°; 3,4-di-Cl, BuCO, C6H6, 120-1°; 3,4-di-Cl, AmCO, C6H6, 108-9°; 3,4-di-Cl, C6H13CO, ligroine, 94-5°; 3,4-di-Cl, C7H15CO, MeOH, 92-3°; 3,4-di-Cl, C8H17CO, ligroine, 86-7°; 3,4-di-Cl, C9H19CO, ligroine, 86-7°; 3,4-di-Cl, C11H23CO, ligroine, 84-7°; 3,4-di-Cl, C13H27CO, EtOH, 91-2°; 3,4-di-Cl, C15H31CO, EtOH, 97-8°; 3,4-di-Cl, C17H35CO, EtOH, 90-1°; 3,4-di-Cl, ClCH2CO (yellow), EtOH, 149-50°; 3,4-di-Cl, AcCH2CH2CO, C6H6, 135-6°; 3,4-di-Cl, HO2C(CH2)2CO (gray), H2O, 167-8°; 3,4-di-Cl, HO2C(CH2)4CO, AcOEt-C6H6, 133-5° (decomposition); 3,4-di-Cl, Bz, EtOH, 176-7°; 3,4-di-Cl, 3,4-di-chlorobenzoyl, EtOH, 205-6°; 3,4-di-Cl, 4-nitrobenzoyl (yellow), EtOH, 222-3°; 3,4-di-Cl, 2-hydroxybenzoyl, C6H6, 153-4°; 3,4-di-Cl, 2,4-dichlorophenoxyacetyl, EtOH, 199-200°; 3,4-di-Cl, p-MeC6H4SO2, EtOH, 153° (decomposition); 3,4-di-Cl, PhCH2O2CNHCH(CO2H)CH2CO, EtOH-ligroine, 155-8° (decomposition); 3,4-di-Cl, PhCH2O2CNHCH(CO2H)(CH2)2CO, EtOH-ligroine, 169-70° (decomposition); 3,4-di-Cl, NH2CS (brown) EtOH, 197-8° (decomposition); 2,6-di-Cl, NH2CS, MeOH, 223° (decomposition); 2,3-di-Cl, NH2CS (pale pink) EtOH, 200° (decomposition); 2,4,6-tri-Cl, NH2CS, EtOH, 241 (decomposition); 2,4,5-tri-Cl, NH2CS, EtOH, 226° (decomposition); 3,4-di-Cl, NH2CO (yellow), EtOH, 162-3°; 2,5-di-Cl, NH2CO, EtOH, 224° (decomposition); 4-Cl, MeNHCO, MeOH, 184-5°; 4-Cl, EtNHCO, MeOH, 162-3°; 4-Cl, PhNHCO, MeOH, 192-3°; 4-Cl, p-MeOC6H4NHCO, MeOH, 174-5°; 4-Cl, p-EtOC6H4NHCO, MeOH, 172-3°; 4-Cl, p-AcOC6H4NHCO, MeOH, 175-6°; 4-Cl, PhCH2NHCO, MeOH, 162-3°; 4-Cl, 1-naphthylacrbamoyl, MeOH, 245-6° (decomposition); 4-Cl, 2-ClC6H4NHCO, MeOH, 181-2°; 4-Cl, 3-ClC6H4NHCO, MeOH, 174-5°; 4-Cl, 4-ClC6H4NHCO, MeOH, 213-14°; 3,4-di-Cl, MeNHCO, MeOH, 192-3°; 3,4-di-Cl, EtNHCO, MeOH, 170-1°; 3,4-di-Cl, PhNHCO, MeOH, 202-3°; 3,4-di-Cl, p-OMeC6H4NHCO, MeOH, 192-3°; 3,4-di-Cl, p-EtOC6H4NHCO, MeOH, 207-8°; 3,4-di-Cl, p-AcOC6H4NHCO, MeOH, 221-2°; 3,4-di-Cl, PhCH2NHCO, MeOH, 181.5-2.5°; 3,4-di-Cl, 1-naphthylcarbamoyl, MeOH, 242-3° (decomposition); 3,4-di-Cl, 2-ClC6H4NHCO, C6H6, 195-6°; 3,4-di-Cl, 3-ClC6H4NHCO, C6H6, 203-4°; 3,4-di-Cl, 4-ClC6H4NHCO, C6H6, 205-6°; 2-Cl, EtO2C, ligroine, 78-9°; 4-Cl, EtO2C, ligroine, 88-9°; 2,5-di-Cl, EtO2CO, ligroine, 77-9°; 3,4-di-Cl, EtO2C, ligroine, 108-10°; 2,4-di-Cl, EtO2C (pale yellow), ligroine, 68-9°; 2-Cl, EtS2C (pale green), EtOH, 123-4°; 4-Cl, EtS2C, ligroine, 133-4°; 2,5-di-Cl, EtS2C, ligroine, 145-6°; 3,4-di-Cl, EtS2C (yellow), dilute EtOH, 113-14°; 2,6-di-Cl, EtS2C, ligroine, 128-9°; 4-Cl, BzCH2S2C, EtOH, 177° (decomposition); 3,4-di-Cl, BzCH2S2C (yellow), dilute EtOH, 158-9° (decomposition); 4-Cl, NH2C(:NH) (sulfate), dilute EtOH, 218-19° (decomposition); 3,4-di-Cl, NH2C(:NH) (sulfate), H2O, 235-7° (decomposition); 4-Cl, II (hydriodide) (pale yellow), AcOEt-EtOH, 192-3°; 4-Cl, (OEt)2P(O) (pale yellow), ligroine, 135-6°; 3,4-di-Cl, (OEt)2P(O), ligroine, 105-7°. Also prepared were the following III (X, R, recrystallization solvent, and m.p. given); 4-Cl, C11H23, MeOH, 86-8°; 3,4-di-Cl, C13H27, EtOH, 78-81°; 3,4-di-Cl, C15H31, EtOH, 78-9°; 4-Cl, PhNH, AcOEt, 194-5°. Also prepared was 3,4-Cl2C6H3N(CO2Et)NHAc, [pink, m.99-100° (dilute EtOH)]. Also prepared were the following IV (X, R, recrystallization solvent, and m.p. given): 3,4-di-Cl, 2-nitro-5-furyl (reddish purple), EtOH, 199-200° (decomposition); 4-Cl, HOCH2(CH2OH)4, dilute EtOH, 151-2°; 3,4-di-Cl, HOCH2(CH2OH)4 (gray), dilute EtOH, 168-9° (decomposition). Also prepared were the following V (X, recrystallization solvent, and m.p. given): 2-Cl, EtOH, 231° (decomposition); 3,4-di-Cl, dilute EtOH, 215° (decomposition); 2,4-di-Cl, EtOH, 240° (decomposition); 2,5-di-Cl, AcOEt, 263-4°. Also prepared were the following VI (X, R, color, and m.p. given; all being recrystallized from EtOH): 3,4-di-Cl, 2-hydroxy-1-naphthyl, red, 155-6°; 3,4-di-Cl, 2-HO-5-ClC6H3, dark yellow, 146-8°; 3,4-di-Cl, 2-OH-5-MeC6H4, yellow, 125-6°; 3,4-di-Cl, 2-HO-3-(3,4-Cl2C6H3N:N)-5-MeC6H2, dark yellow, 211-13°; 3,4-di-Cl, 2-HO-5-PhC6H3, dark yellow, 162-3°; 3,4-di-Cl, PhNH, yellow, 93-5°; 3,4-di-Cl, 3-ClC6H4NH, dark yellow, 134-5° (decomposition); 3,4-di-Cl, 2-ClC6H4NH, yellow, 103-4°; 3,4-di-Cl, 4-ClC6H4NH, yellow, 142° (decomposition); 3,4-di-Cl, 4-BrC6H4NH, pale brown, 141° (decomposition); 3,4-di-Cl, 2,3-Cl2C6H3NH, yellow, 154° (decomposition); 3,4-di-Cl, 2,5-di-Cl2C6H3NH, dark yellow, 146-7°; 3,4-di-Cl, 2,4-Cl2C6H3NH, yellow, 118-20° (decomposition); 3,4-di-Cl, 3,5-Cl2C6H3NH, (brown, 128-30°; 3,4-di-Cl, 3,4-Cl2C6H3NH, yellow, 151°; 3,4-di-Cl, 2,4,5-Cl3C6H2NH, yellow, 164° (decomposition); 2,6-di-Cl, 3,4-Cl2C6H3NH, -, 107-8°; 3,4-di-Cl, 4-(3,4-Cl2C6H3N:N)C6H4NH, yellow, 175-6° (decomposition). Similarly prepared was VII, yellow, m. 229-30° (decomposition) (EtOH). Also prepared were 2-methyl-4-(3,4-dichlorophenyl)-1,3,4-oxadiazol-5-one, m. 136-9° (EtOH), 3,4-Cl2C6H3NHCO(CH2)2Ac, m. 119-20° (EtOH), 4-ClC6H4CH2(NH)2COPh, m. 140-1° (EtOH), (4-ClC6H4CH2)2NNHCOPh, m. 180-2° (EtOH), (2-ClC6H4CH2)2NNHCOPh, m. 154-5° (EtOH), (3,4-Cl2C6H3CH2)2NNHCOPh, m. 145-6° (EtOH), (2-ClC6H4CH2)2NNHCH2C6H4Cl-p, m. 119-20° (EtOH), (2-ClC6H4CH2)2NNHAc, m. 128-9° (C6H6), and 3,4-Cl2C6H3CH2CH2(NH)2Ac, m. 140-1° (C6H6). Results of antibacterial and antifungal tests of all above compounds against Piricularia oryzae, Colletotrichum lagenarium, Xanthomonas oryzae, Fusarium oxysporum, Alternaria kikuchiana, Glomerella cingulata, Gibberella fujikuroi, Phytophthora infestans, Candida albicans, Trichophyton mentagrophytes, Corticium sasakii, Ophiobolus miyabeanus, Bacillus subtilis, Staphylococcus aureus, and Saccharomyces cerevisiae were also described.

Yakugaku Zasshi published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C9H5ClO2, Product Details of C10H9ClN2O.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Doba, Takahiro published the artcileHomocoupling-free iron-catalyzed twofold C-H activation/cross-couplings of aromatics via transient connection of reactants, HPLC of Formula: 930-36-9, the publication is Nature Catalysis (2019), 2(5), 400-406, database is CAplus.

Herein, an efficient strategy was developed for the synthesis of biaryls and (aryl)alkenamides Ar(R)C=C(R¹)C(O)NHAr¹ [R = Me; R¹ = Me; RR¹ = (CH₂)₄; Ar = 3,4-Cl₂C₆H₃, 5-Ph-2-thienyl, benzothiophen-2-yl, etc.; Ar¹ = 8-quinolyl] via iron-catalyzed twofold C-H activation/cross-coupling of arenes with alkenyl/aryl carboxamides. A transient connection of two reactants by an anionic group appended to one reactant helped to achieve this goal under mildly oxidative iron-catalyzed conditions, through the formation of a productive heteroleptic R¹-M-R² intermediate. An N-(quinolin-8-yl)amide anion was utilized for the temporary connection and cross-coupled a stoichiometric mixture of aromatics in high yield without any trace of homocoupling products. A short-step synthesis of several donor/acceptor thiophene compounds and carbon/sulfur-bridged flat conjugated systems illustrated the utility of this method to streamline organic synthesis.

Nature Catalysis published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, HPLC of Formula: 930-36-9.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Jain, Rama published the artcileDiscovery of Potent and Selective RSK Inhibitors as Biological Probes, Related Products of pyrazoles-derivatives, the publication is Journal of Medicinal Chemistry (2015), 58(17), 6766-6783, database is CAplus and MEDLINE.

While the p90 ribosomal S6 kinase (RSK) family has been implicated in multiple tumor cell functions, the full understanding of this kinase family has been restricted by the lack of highly selective inhibitors. A bis-phenol pyrazole was identified from high-throughput screening as an inhibitor of the N-terminal kinase of RSK2. Structure-based drug design using crystallog., conformational anal., and scaffold morphing resulted in highly optimized difluorophenol pyridine inhibitors of the RSK kinase family as demonstrated cellularly by the inhibition of YB1 phosphorylation. These compounds provide for the first time in vitro tools with an improved selectivity and potency profile to examine the importance of RSK signaling in cancer cells and to fully evaluate RSK as a therapeutic target.

Journal of Medicinal Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, Related Products of pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Fernandes, Celia published the artcileRe(I) and ^99mTc(I) tricarbonyl complexes with ether-containing pyrazolyl-based chelators: Chemistry, biodistribution and metabolism, Application of 4-(methoxymethyl)-1H-pyrazole, the publication is Journal of Organometallic Chemistry (2014), 138-148, database is CAplus.

Tris(pyrazolyl)methane chelators, L1-L3, containing one or two ether groups at different positions of the azole rings, were synthesized and fully characterized. These chelators enabled the synthesis of fac-[^99mTc(CO)₃{HC[4-(ROCH₂)pz]₃}]⁺ (R = Me (Tc1), Et (Tc2)) and fac-[^99mTc(CO)₃{HC[3,5-(EtOCH₂)₂pz]₃}]⁺ (Tc3) which were identified by HPLC in comparison with the rhenium counterparts. The evaluation of Tc1-Tc3 in CD-1 mice showed that the number and/or nature of the ether groups greatly influence the biodistribution profile, pharmacokinetics and metabolic stability of these complexes. Tc1 and Tc2, bearing a unique ether substituent at the 4-position of the pyrazolyl ring, undergo metabolic transformation in vivo while Tc3 is not metabolized. The metabolization of Tc1 and Tc2 enhanced their rate of excretion but, most probably, also justify their negligible heart uptake in contrast with the high heart uptake of congener non-metabolizable complexes (^99mTc-DMEOP and ^99mTc-TMEOP), which have recently emerged as potential myocardial imaging agents. The attempts made to identify the metabolites of Tc1 and Tc2 showed that the metabolization of these compounds must involve the ether functions with probable formation of carboxylic acid derivatives A comparative study with the congener fac-[^99mTc(CO)₃{[4-(MeOCH₂)pz](CH₂)₂NH(CH₂)₂NH₂}]⁺ (Tc6) led the authors to confirm the formation of such type of metabolites. In fact, Tc6 is also metabolized in mice with formation of fac-[^99mTc(CO)₃{[4-(HOCH₂)pz](CH₂)₂NH(CH₂)₂NH₂}]⁺ (Tc7) and fac-[^99mTc(CO)₃{[4-(HOOC)pz](CH₂)₂NH(CH₂)₂NH₂}]⁺ (Tc8), which were chem. identified by HPLC in comparison with the Re congeners (Re7 and Re8).

Journal of Organometallic Chemistry published new progress about 37599-34-1. 37599-34-1 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Ether, name is 4-(methoxymethyl)-1H-pyrazole, and the molecular formula is C5H8N2O, Application of 4-(methoxymethyl)-1H-pyrazole.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Wang, Gary T. published the artcileLead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids, COA of Formula: C3H5BN2O2, the publication is Bioorganic & Medicinal Chemistry Letters (2007), 17(10), 2817-2822, database is CAplus and MEDLINE.

A series of aryl sulfonamides of 5,6-disubstituted anthranilic acids were identified as potent inhibitors of methionine aminopeptidase-2 (MetAP2). Small alkyl groups and 3-furyl were tolerated at the 5-position of anthranilic acid, while -OCH₃, CH₃, and Cl were found optimal for the 6-position. Placement of 2-aminoethoxy group at the 6-position enabled interaction with the second Mn²⁺ but did not result in enhancement in potency. Introduction of a tertiary amino moiety at the ortho-position of the sulfonyl Ph ring gave reduced protein binding and improved cellular activity, but led to lower oral bioavailability.

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C6H20Cl2N4, COA of Formula: C3H5BN2O2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Maurya, R. C. published the artcileSynthesis, characterization, thermal behavior, and DFT aspects of some oxovanadium(IV) complexes involving ONO-donor sugar Schiff bases, Safety of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Journal of Coordination Chemistry (2014), 67(18), 3084-3106, database is CAplus.

Seven new Schiff base complexes of oxovanadium(IV), [VO(L)(H₂O)], where H₂L = N-(4¹-benzoylidene-3¹-methyl-1¹-phenyl-2¹pyrazolin-5¹-one)-glucosamine (H₂bmpph-gls), N-(4¹-butyrylidene-3¹-methyl-1¹-phenyl-2¹-pyrazolin-5¹-one)glucosamine (H₂bumpph-gls), N-(3¹-methyl-1¹-phenyl-4¹-iso-valerylidene-2¹-pyrazolin-5¹-one)-glucosamine (H₂iso-vmpph-gls), N-(3¹-methyl-1¹-phenyl-4¹-propionylidene-2¹-pyrazolin-5¹-one)-glucosamine (H₂pmpph-gls) , N-(4¹-iso-butyrylidene-3¹-methyl-1¹-phenyl-2¹-pyrazolin-5¹-one)-glucosamine(H₂iso-bumpph-gls) N-(4¹-acetylidene-3¹-methyl-1¹phenyl-2¹-pyrazolin-5¹-one)-glucosamine (H₂ampph-gls), and N-(3¹-methyl-1¹-phenyl-4¹-valerylidene-2¹-pyrazolin-5¹-one)-glucosamine (H₂vmpph-gls), were synthesized by the reaction of VOSO₄.5H₂O and the said ligands in aqueous ethanol. The resulting complexes were characterized from elemental anal., vanadium determination, molar conductance, magnetic measurements, thermogravimetric (TG) anal., IR, electronic mass, and ESR studies. The thermal decomposition processes of one representative complex is discussed, and the order of reaction (n) and the activation energies (E_a) were calculated from TG and differential TG curves. Mol. geometry optimizations, mol. surface electrostatic potentials, vibrational frequency calculations, bond lengths, bond angles and dihedral angles, and natural at. charges obtained by natural bond orbital and Mulliken population anal. and calculations of mol. energies, HOMO and LUMO were performed with the Gaussian 09 software package using d. functional theory methods with Becke3-Lee-Yang-Parr (B3LYP) hybrid exchange-correlation functional and the standard 6-311G() basis set for (ampph-glsH₂) and LANL2DZ basis set for one of its complexes, [VO(ampph-gls)(H₂O)]. No imaginary frequency was found in the optimized model compounds, and hence it ensures that the mol. is in the lowest point of the potential energy surface, i.e., an energy min. Finally calculated results were applied to simulate IR spectra which show good agreement with observed spectra. Based on exptl. and theor. data, suitable square pyramidal structures are proposed for these complexes.

Journal of Coordination Chemistry published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Safety of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Szanto, Gabor published the artcileNew P2X3 receptor antagonists. Part 2: Identification and SAR of quinazolinones, Name: 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2016), 26(16), 3905-3912, database is CAplus and MEDLINE.

Numerous potent P2X3 antagonists have been discovered and the therapeutic potential of P2X3 antagonism already comprises proof-of-concept data obtained in clin. trials with the most advanced compound The authors have lately reported the discovery and optimization of thia-triaza-tricycle compounds with potent P2X3 antagonistic properties. This Letter describes the SAR of a back-up series containing a 4-oxo-quinazoline central ring. The discovery of the highly potent compounds I is presented.

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C23H43NP2, Name: 1H-Pyrazole-4-boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Nemec, Vaclav published the artcileHighly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core, Name: (1H-Pyrazol-5-yl)boronic acid, the publication is European Journal of Medicinal Chemistry (2021), 113299, database is CAplus and MEDLINE.

The furo [3,2-b]pyridine motif represents a relatively underexplored central pharmacophore in the area of kinase inhibitors. Herein, author’s report flexible synthesis of 3,5-disubstituted furo[3,2-b]pyridines that relies on chemoselective couplings of newly prepared 5-chloro-3-iodofuro[3,2-b]pyridine. This methodol. allowed efficient second-generation synthesis of the state-of-the-art chem. biol. probe for CLK1/2/4 I, and identification of the highly selective inhibitors of HIPKs II and III which are presented and characterized in this study, including the X-ray crystal structure of II in HIPK2.chem. biol. probe.

European Journal of Medicinal Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, Name: (1H-Pyrazol-5-yl)boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Nemec, Vaclav published the artcileHighly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core, COA of Formula: C9H9BN2O2, the publication is European Journal of Medicinal Chemistry (2021), 113299, database is CAplus and MEDLINE.

The furo [3,2-b]pyridine motif represents a relatively underexplored central pharmacophore in the area of kinase inhibitors. Herein, author’s report flexible synthesis of 3,5-disubstituted furo[3,2-b]pyridines that relies on chemoselective couplings of newly prepared 5-chloro-3-iodofuro[3,2-b]pyridine. This methodol. allowed efficient second-generation synthesis of the state-of-the-art chem. biol. probe for CLK1/2/4 I, and identification of the highly selective inhibitors of HIPKs II and III which are presented and characterized in this study, including the X-ray crystal structure of II in HIPK2.chem. biol. probe.

European Journal of Medicinal Chemistry published new progress about 1100095-25-7. 1100095-25-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-(1H-Pyrazol-3-yl)phenyl)boronic acid, and the molecular formula is C9H9BN2O2, COA of Formula: C9H9BN2O2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics