Tag: M.W=200-350

You, Hyun published the artcileDesign, synthesis and X-ray crystallographic study of NAmPRTase inhibitors as anti-cancer agents, Computed Properties of 116228-41-2, the main research area is benzoylpeperidinylbutylarylacrylamide preparation NAmPRTase inhibitory anticancer crystal XRD.

NAmPRTase (PBEF/Visfatin) plays a pivotal role in the salvage pathway of NAD+ biosynthesis. NAmPRTase has been an attractive target for anti-cancer agents that induce apoptosis of tumor cells via a declining plasma NAD+ level. In this report, a series of structural analogs of FK866 I, a known NAmPRTase inhibitor, was synthesized and tested for inhibitory activities against the proliferation of cancer cells and human NAmPRTase. Among them, compound II showed similar anti-cancer and enzyme inhibitory activities to compound I. Further investigation of compound II with X-ray anal. revealed a co-crystal structure in complex with human NAmPRTase, suggesting that Asp219 in the active site of the enzyme could contribute to an addnl. interaction with the pyrrole nitrogen of compound II.

European Journal of Medicinal Chemistry published new progress about Amidation. 116228-41-2 belongs to class pyrazoles-derivatives, name is 4-Bromo-1-tosyl-1H-pyrazole, and the molecular formula is C10H9BrN2O2S, Computed Properties of 116228-41-2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Allin, Steven M. published the artcileBu3SnH-Mediated radical cyclization onto azoles, Safety of 4-Bromo-1-tosyl-1H-pyrazole, the main research area is bicyclic pyrrole imidazole pyrazole preparation.

Alkyl radicals have been cyclized onto pyrroles, imidazoles and pyrazoles, and acyl radicals cyclized onto pyrroles, using Bu3SnH-, (Me3Si)3SiH- and Bu3GeH-mediated aromatic homolytic substitution for the synthesis of bicyclic N-heterocycles. The reactions yield intermediate π-radicals that lose hydrogen in the rearomatization step of the aromatic homolytic substitution. Mechanistic studies of these rearomatization steps indicate aromatic homolytic substitution in which the initiator or breakdown products from the inhibitor are responsible for the H-abstraction step.

Tetrahedron published new progress about Crystal structure. 116228-41-2 belongs to class pyrazoles-derivatives, name is 4-Bromo-1-tosyl-1H-pyrazole, and the molecular formula is C10H9BrN2O2S, Safety of 4-Bromo-1-tosyl-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Gummadi, Venkateshwar Rao published the artcileDiscovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: Wild type and mutant (L1196M) active compounds with unique binding mode, Product Details of C16H20BFN2O2, the main research area is azaindole derivative ALK inhibitor preparation antiproliferative cancer; 7-Azaindole; AODVBYYJEPEEKR-UHFFFAOYSA-N; ATZJNUYRMAFPBF-UHFFFAOYSA-N; Anaplastic large cell lymphoma (ALCL); Anaplastic lymphoma kinase (ALK); Cancer; FADONZKXBUVWLH-UHFFFAOYSA-N; FPQUAATUWBOAGG-UHFFFAOYSA-N; HCWGKZMWRCORGX-UHFFFAOYSA-N; ISOJIFQFHFOCFC-UHFFFAOYSA-N; JJYRLIVLBDHFEU-UHFFFAOYSA-N; KNRKBZCJMLVHPB-UHFFFAOYSA-N; Karpas299; LKQKEJPUPWXICV-UHFFFAOYSA-N; LRWNZUVVRSBHQU-UHFFFAOYSA-N; MGARIFYNPCFMQT-UHFFFAOYSA-N; NAKSXXPCEJGLLQ-UHFFFAOYSA-N; PGSYBTKGCJXUAV-UHFFFAOYSA-N; SDWMCZUOCJDBOJ-UHFFFAOYSA-N; WIWKHKMJZYIJLG-UHFFFAOYSA-N; WXMICXPDNXUCTC-UHFFFAOYSA-N; XUQBNEPFDRSOCA-UHFFFAOYSA-N; ZHUGMFFQPPOJNL-UHFFFAOYSA-N.

We have identified a novel 7-azaindole series of anaplastic lymphoma kinase (ALK) inhibitors. Compounds 7b, 7m and 7n demonstrate excellent potencies in biochem. and cellular assays. X-ray crystal structure of one of the compounds (7k) revealed a unique binding mode with the benzyl group occupying the back pocket, explaining its potency towards ALK and selectivity over tested kinases particularly Aurora-A. This binding mode is in contrast to that of known ALK inhibitors such as Crizotinib and NVP-TAE684 which occupy the ribose binding pocket, close to DFG motif.

Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents. 1415825-05-6 belongs to class pyrazoles-derivatives, name is 1-(2-Fluorobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, and the molecular formula is C16H20BFN2O2, Product Details of C16H20BFN2O2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Fu, Lili published the artcileSynthesis of sulfonamides from azoles and sodium sulfinates at ambient temperature, Name: 4-Bromo-1-tosyl-1H-pyrazole, the main research area is oxidative amination azole sodium sulfinate NBS NIS sulfonamide synthesis; sulfur nitrogen bond formation azole sodium sulfinate.

NBS or NIS mediated direct S-N bond formation between azoles and sodium sulfinates is described. The reaction shows good substrate scope and tolerates a wide range of functionalities in both azoles and sodium sulfinate substrates. Pyrazoles are also suitable for this method, various 4-halopyrazoles derivatives were obtained by using N-halosuccinimide (NXS) as the halogen source. Thus, e.g., oxidative amination of benzimidazole with sodium p-tolylsulfinate using NBS as oxidant in 1,4-dioxane afforded 1-tosylbenzimidazole (93%).

Tetrahedron published new progress about Atom economy. 116228-41-2 belongs to class pyrazoles-derivatives, name is 4-Bromo-1-tosyl-1H-pyrazole, and the molecular formula is C10H9BrN2O2S, Name: 4-Bromo-1-tosyl-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Chung, John Y. L. published the artcileEvolution of a Manufacturing Route to Omarigliptin, A Long-Acting DPP-4 Inhibitor for the Treatment of Type 2 Diabetes, Name: 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate, the main research area is omarigliptin diastereoselective enantioselective preparation manufacturing route; stereoselective reductive amination arylaminopyranone mesylpyrrolopyrazole deprotection; ruthenium catalyzed enantioselective hydrogenation cycloisomerization oxidation preparation omarigliptin.

Development of a convergent synthesis of omarigliptin [MK-3102, I (R = H; Ms = MeSO2)] suitable for com. manufacture is described. I (R = H) was prepared by the diastereoselective reductive amination of a nonracemic Boc-protected amino(aryl)pyranone II with mesylated pyrrolopyrazole III•PhSO3H (R1 = H) [generated in situ from its Boc-protected precursor III (R1 = Boc) due to its instability and potential genotoxicity] followed by Boc deprotection. The synthesis of II relies on three Ru-catalyzed reactions: the dynamic kinetic resolution/hydrogenation of a rac-α-aminoketone in the presence of an areneruthenium diamine complex, cycloisomerization of the bis-homopropargylic alc. product to a dihydropyran, and ruthenium-catalyzed oxidation of a pyranol (generated by hydroboration of the dihydropyran). III (R1 = Boc) was prepared regioselectively in 30:1 regioselectivity by mesylation followed by base-promoted isomerization. The Boc deprotection of III (R1 = Boc) and its reductive amination reaction with II were telescoped by using the crystallization of I (R = Boc) to remove byproducts, allowing handling of III•PhSO3H (R1 = H) to be avoided and improving the overall diastereoselectivity and efficiency of the route.

Organic Process Research & Development published new progress about Cycloisomerization. 1280210-80-1 belongs to class pyrazoles-derivatives, name is 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate, and the molecular formula is C12H15N3O5S2, Name: 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Holzer, Wolfgang published the artcileN-substituted bromopyrazoles: synthesis and 13C NMR study, Application of 4-Bromo-1-tosyl-1H-pyrazole, the main research area is bromopyrazole preparation NMR; substituent effect bromopyrazole preparation NMR.

The synthesis of N-1 substituted 4-bromo-, 3,4-dibromo- and 3,4,5-tribromopyrazoles starting from the NH-pyrazoles is described. 13C Nmr spectroscopic studies with the title compounds are presented, investigating the influence of substituents on 13C-chem. shifts and 13C, 1H spin coupling constants

Heterocycles published new progress about NMR (nuclear magnetic resonance). 116228-41-2 belongs to class pyrazoles-derivatives, name is 4-Bromo-1-tosyl-1H-pyrazole, and the molecular formula is C10H9BrN2O2S, Application of 4-Bromo-1-tosyl-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Biftu, Tesfaye published the artcileOmarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes, Safety of 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate, the main research area is antidiabetic DPP4 inhibitor omarigliptin MK3102 preparation pharmacokinetics diabetes.

In our effort to discover DPP-4 inhibitors with added benefits over currently com. available DPP-4 inhibitors, MK-3102 (omarigliptin), was identified as a potent and selective dipeptidyl peptidase 4 (DPP-4) inhibitor with an excellent pharmacokinetic profile amenable for once-weekly human dosing and selected as a clin. development candidate. This manuscript summarizes the mechanism of action, scientific rationale, medicinal chem., pharmacokinetic properties, and human efficacy data for omarigliptin, which is currently in phase 3 clin. development.

Journal of Medicinal Chemistry published new progress about Antidiabetic agents. 1280210-80-1 belongs to class pyrazoles-derivatives, name is 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate, and the molecular formula is C12H15N3O5S2, Safety of 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Perkins, Robert J. published the artcileElectrochemical Nickel Catalysis for Sp2-Sp3 Cross-Electrophile Coupling Reactions of Unactivated Alkyl Halides, Product Details of C10H9BrN2O2S, the main research area is electrochem nickel catalysis electrophile coupling reaction alkyl halide.

A constant-current electrochem. method for reducing catalytic Ni complexes in sp2-sp3 cross-electrophile coupling reactions was developed. The electrochem. reduction provides reliable Ni catalyst activation and turnover and offers a tunable parameter for reaction optimization, in contrast to more standard activated metal powder reductants. The electrochem. reactions give yields (i.e., 51-86%) and selectivities as high or superior to those using metal powder reductants and provide access to a wider substrate scope.

Organic Letters published new progress about Coupling reaction catalysts (electrochem.). 116228-41-2 belongs to class pyrazoles-derivatives, name is 4-Bromo-1-tosyl-1H-pyrazole, and the molecular formula is C10H9BrN2O2S, Product Details of C10H9BrN2O2S.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Heinisch, Gottfried published the artcilePyrazoles. 3. N-1 Protected 4-substituted pyrazoles – synthesis and NMR investigation, SDS of cas: 116228-41-2, the main research area is benzylpyrazole preparation carbon NMR; pyrazole benzyl preparation carbon NMR; benzenesulfonylpyrazole preparation carbon NMR.

Pyrazoles I (R1 = cyano, CO2Et, H; R2 = cyano, CO2Et, CO2H, Ph) and II (R1 = Me, NO2; R2 = H, NO2; R3 = Me, NO2) were prepared, and 13C NMR for I and II were obtained. 1-Benzyl-4-pyrazolecarboxyldehyde was treated with CH2(CO2H)2 to give I (R1 = H, R2 = CO2H). 13C NMR were also obtained for III (R4 = PhCO, PhSO2, tosyl; R5 = H, Br, iodo, substituted ethanyl, Me, NO2; R6 = H, Br).

Heterocycles published new progress about NMR (nuclear magnetic resonance). 116228-41-2 belongs to class pyrazoles-derivatives, name is 4-Bromo-1-tosyl-1H-pyrazole, and the molecular formula is C10H9BrN2O2S, SDS of cas: 116228-41-2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Li, You published the artcileA one-pot synthesis of omarigliptin and its analogues through stabilized beta-amino ketone intermediate, SDS of cas: 1280210-80-1, the main research area is omarigliptin analog preparation beta amino ketone stabilization reductive amination.

A unique stabilization condition for beta-amino ketone has been described. With the above beta-amino ketone as an unprecedented intermediate, omarigliptin could be prepared in a highly efficient one-pot procedure with good yield. Also with this intermediate, some analogs of omarigliptin were readily prepared for the first time.

Synthetic Communications published new progress about Aromatic amines Role: RCT (Reactant), RACT (Reactant or Reagent). 1280210-80-1 belongs to class pyrazoles-derivatives, name is 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate, and the molecular formula is C12H15N3O5S2, SDS of cas: 1280210-80-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics