Day: December 5, 2022

Thiruchelvi, R. published the artcileIn-Silico analysis to identify the potent inhibitor of Rho GTPase activating protein for the usage of the Glaucoma, SDS of cas: 71203-35-5, the publication is Materials Today: Proceedings (2021), 37(Part_2), 1897-1904, database is CAplus.

Considered as the one of the leading irreversible loss of vision causing optic neuropathy, Glaucoma is estimated to hit more than 80 million by the end of 2020 via population survey. Increased intraocular pressure is taken as one of the risk factors among others behind the root of causing the disease. The imbalance in the secretion and the excretion of the aqueous humor inside and out of the ocular results in the IOP to deviate from the normal value of 22 mm of Hg. The Rho GAP pathway playing a crucial role in the modulation of the contractile and relaxation property of the actin smooth muscle, has shown in neg. regulating the protein kinase and subsequently increased IOP. In-vitro and Ex-vitro inhibition of the Rho GTPase protein through inhibitors have resulted in the relaxation of the actin and hence the IOP. The aim of the study is to use the in-silico technique such as, Autodock4, to explore the ligand interaction and its ability to inhibit the activity of RhoGTPase. The mols. AZA1 and Azaindole, with the least binding energies, have proven to be a potent inhibitor of the protein, hence as a lead towards the treatment of the glaucoma by decreasing the IOP to an extent.

Materials Today: Proceedings published new progress about 71203-35-5. 71203-35-5 belongs to pyrazoles-derivatives, auxiliary class GPCR/G Protein,Ras, name is 4-(5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C20H23N3O2S, SDS of cas: 71203-35-5.

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

Yang, Feng V. published the artcileParallel synthesis of N-biaryl quinolone carboxylic acids as selective M₁ positive allosteric modulators, HPLC of Formula: 763120-58-7, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(2), 531-536, database is CAplus and MEDLINE.

An iterative analog library synthesis approach was employed in the exploration of a quinolone carboxylic acid series of selective M₁ pos. allosteric modulators, and strategies for improving potency and plasma free fraction were identified.

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 C7H8N2, HPLC of Formula: 763120-58-7.

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

Noel, Romain published the artcileSynthesis and SAR of 4-(pyrazol-3-yl)-pyridines as novel c-jun N-terminal kinase inhibitors, Related Products of pyrazoles-derivatives, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(9), 2732-2735, database is CAplus and MEDLINE.

The design and synthesis of a novel series of c-jun N-terminal kinase (JNK) inhibitors is described. The development of the 4-(pyrazol-3-yl)-pyridine series, e.g. I, was discovered from an earlier pyrimidine series of JNK inhibitors. Through the optimization of the (pyrazolyl)pyridine scaffold, several potent compounds with good in vivo profiles were discovered.

Bioorganic & Medicinal Chemistry Letters 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

Wang, An published the artcileStudy on ring-opening polymerization of ε-caprolactone catalyzed by Zn(II) Schiff-base complex, Application In Synthesis of 4551-69-3, the publication is Shandong Huagong (2018), 47(20), 5-7, database is CAplus.

Ring-opening polymerization of ε-caprolactone catalyzed by Zn(II) Schiff-base complex [LZn] was studied. Using the selected [LZn] as the catalyst and 4-dimethylaminopyridine as the co-catalyst from the polymerization temperature of 80°C and the reaction time of 6 h in the solvent of toluene, the ring-opening polymerization of ε-caprolactone was carried out under nitrogen atm., where the Mn of the PCL was 24.653×10³ g·mol^-1 and the PDI was 1.21. The results showed that the effective ring-opening polymerization of ε-caprolactone was realized with the presence of catalyst [LZn].

Shandong Huagong 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 C9H17NO, Application In Synthesis of 4551-69-3.

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

Zhang, Lei published the artcileDiscovery of Novel Small-Molecule Inhibitors of NF-κB Signaling with Antiinflammatory and Anticancer Properties, Recommanded Product: 3-Isopropyl-1H-pyrazole-5-carboxylic acid, the publication is Journal of Medicinal Chemistry (2018), 61(14), 5881-5899, database is CAplus and MEDLINE.

Excessive NF-κB activation contributes to the pathogenesis of numerous diseases. Small-mol. inhibitors of NF-κB signaling have significant therapeutic potential especially in treating inflammatory diseases and cancers. In this study, we performed a cell-based high-throughput screening to discover novel agents capable of inhibiting NF-κB signaling. On the basis of two hit scaffolds from the screening, we synthesized 69 derivatives to optimize the potency for inhibition of NF-κB activation, leading to successful discovery of the most potent compound Z9j with over 170-fold enhancement of inhibitory activity. Preliminary mechanistic studies revealed that Z9j inhibited NF-κB signaling via suppression of Src/Syk, PI3K/Akt, and IKK/IκB pathways. This novel compound also demonstrated antiinflammatory and anticancer activities, warranting its further development as a potential multifunctional agent to treat inflammatory diseases and cancers.

Journal of Medicinal Chemistry published new progress about 890590-91-7. 890590-91-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Carboxylic acid, name is 3-Isopropyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C7H10O4, Recommanded Product: 3-Isopropyl-1H-pyrazole-5-carboxylic acid.

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

Zhu, Hualing published the artcileStructures, spectroscopic analysis, herbicidal activities and enamine-aminone tautomerism of new β-diketone derivatives modified with glycylglycine methyl ester, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Journal of Molecular Structure (2015), 170-177, database is CAplus.

New β-diketone derivatives modified with glycylglycine Me ester have been synthesized and characterized by IR, UV, ¹H NMR, ¹³C NMR, Elemental anal. and single-crystal X-ray diffraction, the anal. results show that compound 1 and compound 2a exist in enamine form while compound 2b exists in aminone form. The optimized geometries and theor. vibrational frequencies of the compounds calculated by using DFT/B3LYP with 6-31g (d, p) basis set in the ground state can well reproduce the exptl. data. The results of herbicidal activity tests indicate that all the tested compounds own higher inhibition ability to monocotyledon than to dicotyledon, especially to green-bristlegrass with the inhibitory rates about 100%. Theor. enamine-aminone tautomerism study at DFT/B3LYP/6-31g (d, p) shows that tautomerism between compound 2a and 2b is mainly caused by the proton transfer.

Journal of Molecular Structure 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 C15H10O2, Recommanded Product: 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

Wang, Jing published the artcileMichael acceptor in gambogic acid-Its role and application for potent antitumor agents, Safety of 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2015), 25(14), 2844-2848, database is CAplus and MEDLINE.

Gambogic acid (GA), a natural product with unique structure, was reported to have broad antiproliferation activities against cancer cell lines. As a reactive Michael acceptor, the 10-position of GA is susceptible to nucleophiles, thus limiting its clin. application as an anticancer agent. Moreover, the 6-OH forms an intramol. hydrogen bond with 8-C=O, which can make the 9, 10 double bond more reactive to nucleophiles. In this essay, two strategies (A and B) were applied to solve the above-mentioned problems. Strategy A was to increase the steric hindrance of C-10 to reduce the activity of GA towards nucleophiles. Strategy B was to replace the hydroxyl of C-6 with other substituents based on the assumption that the intra-mol. hydrogen bond could increase the electrophilicity of C-10. Results showed the electrophilicity of C-10 disappeared as well as the antiproliferation activity against cancer cell lines by introducing a Me group at C-10. Strategy B showed that the electrophilicity of C-10 was reduced dramatically while maintained the activity by replacement of the hydroxyl of C-6 with neutral or basic groups.

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 C7H7BClNO3, Safety of 1H-Pyrazole-4-boronic acid.

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

Ummireddi, Ashok Kumar published the artcileAmmonium ionic liquid cation promotes electrochemical CO₂ reduction to ethylene over formate while inhibiting the hydrogen evolution on a copper electrode, Recommanded Product: 1-Methylpyrazole, the publication is Catalysis Science & Technology (2022), 12(2), 519-529, database is CAplus.

Reduction in the cost of renewable electricity has enhanced the viability of the electrochem. CO₂ reduction reaction (CO₂RR) to chems. Ethylene is an economically desired product, and Cu is the only cathode that produces C₂H₄ at reasonable faradaic efficiencies. Altering the binding strength of the key intermediate (CO₂^– ) to favor the reaction pathway to ethylene offers an opportunity to enhance its selectivity further. We explore the influence of ionic liquid cations on ethylene/CO₂RR and hydrogen evolution reaction (HER) activities on polycrystalline Cu. Alkylated imidazolium, pyrazolium, pyrrolidinium, and ammonium tetrafluoroborates were chosen because of their range of Bader charges on their N atom(s) and pK_a values. Among all cations, the tetraethylammonium cation with moderate Bader charge on N and high pK_a of hydration showed the highest ethylene/CO₂RR and lowest HER activities, resp. From d. functional theory calculations, it is concluded that the moderate stabilization of the critical intermediate (*COO^–) and the decrease in hydrogen binding energy are the reasons for the enhancement of ethylene/CO₂RR and suppression of HER activities, resp.

Catalysis Science & Technology 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 C22H32O2, Recommanded Product: 1-Methylpyrazole.

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

Zhao, Bin published the artcileNovel mixed ligand di-n-butyltin(IV) complexes derived from acylpyrazolones and fluorinated benzoic acids: Synthesis, characterization, cytotoxicity and the induction of apoptosis in Hela cancer cells, Category: pyrazoles-derivatives, the publication is European Journal of Medicinal Chemistry (2014), 87-97, database is CAplus and MEDLINE.

Twenty one novel mixed ligand di-n-butyltin(IV) complexes [ⁿBu₂SnAL] (A = substituted 4-acyl-5-pyrazolone, and L = fluorinated benzoic acid) were prepared by condensation of di-n-butyltin(IV) oxide with HL and HA in 1:1:1 molar ratio in refluxing methanol. All of the complexes were characterized by elemental analyses, IR, NMR (¹H, ¹³C, ¹¹⁹Sn) and in four cases by X-ray diffraction. Cytotoxicity of the compounds was studied against two human cancer cell lines (KB and Hela) by means of the MTT assay compared to cisplatin, featuring IC₅₀ values in the low micromolar range. Hela cancer cell apoptosis-induced by 2 was examined by flow cytometry anal., and preliminary results showed that 2 at concentrations of more than 1.0 μM can induce apoptosis.

European Journal of Medicinal 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 C12H23N3S, Category: pyrazoles-derivatives.

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

Kearns, H. published the artcile1064 nm SERS of NIR active hollow gold nanotags, Name: 4-(1H-Pyrazol-4-yl)pyridine, the publication is Physical Chemistry Chemical Physics (2015), 17(3), 1980-1986, database is CAplus and MEDLINE.

Surface enhanced Raman scattering (SERS) tags are in situ probes that can provide sensitive and selective probes for optical anal. in biol. materials. Engineering tags for use in the near IR (NIR) region is of particular interest since there is an uncongested spectral window for optical anal. due to the low background absorption and scattering from many mols. An improved synthesis has resulted in the formation of hollow gold nanoshells (HGNs) with a localised surface plasmon resonance (LSPR) between 800 and 900 nm which provide effective SERS when excited at 1064 nm. Seven Raman reporters containing aromatic amine or thiol attachment groups were investigated. All were effective but 1,2-bis(4-pyridyl)ethylene (BPE) and 4,4-azopyridine (AZPY) provided the largest enhancement. At approx. monolayer coverage, these two reporters appear to pack with the main axis of the mol. perpendicular or nearly perpendicular to the surface giving strong SERS and thus providing effective 1064 nm gold SERS nanotags.

Physical Chemistry Chemical Physics published new progress about 19959-71-8. 19959-71-8 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Pyridine, name is 4-(1H-Pyrazol-4-yl)pyridine, and the molecular formula is C8H7N3, Name: 4-(1H-Pyrazol-4-yl)pyridine.

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