BM 957 , CAS No.1391107-54-2

CAS: 1391107-54-2 Cat. No.: B1423714 PubChem CID: 71456995

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

BM 957 is a potent Bcl-2 and Bcl-xL inhibitor , with K i s of 1.2, <1 nM and IC 50 s of 5.4, 6.0 nM respectively.

Specifications

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

• カノニカル・スマイル: CCN1C(=C(C(=C1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)NC(CCN7CCC(CC7)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)C(=O)O)C
• IUPAC Name: 5-(4-chlorophenyl)-1-ethyl-4-[3-[4-[4-[[4-[[(2R)-4-(4-hydroxypiperidin-1-yl)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-2-methylpyrrole-3-carboxylic acid
• InChIKey: WQCBFZDVUJBJNR-RRHRGVEJSA-N
• INCHI: 1S/C52H56ClF3N6O7S3/c1-3-62-35(2)48(51(64)65)49(50(62)36-12-14-38(53)15-13-36)37-8-7-9-42(32-37)61-30-28-60(29-31-61)41-18-16-39(17-19-41)58-72(68,69)45-20-21-46(47(33-45)71(66,67)52(54,55)56)57-40(34-70-44-10-5-4-6-11-44)22-25-59-26-23-43(63)24-27-59/h4-21,32-33,40,43,57-58,63H,3,22-31,34H2,1-2H3,(H,64,65)/t40-/m1/s1
• 異性体SMILES: CCN1C(=C(C(=C1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)C(=O)O)C
• PubChem CID: 71456995
• MeSH用語: 5-(4-chlorophenyl)-1-ethyl-4-(3-(4-(4-(4-(4-(4-hydroxypiperidin-1-yl)-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonamido)phenyl)piperazin-1-yl)phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid;BM-957

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyrroles
      • Subclass Substituted pyrroles
        • Level5 Phenylpyrroles
          • Level6 Diphenylpyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Phenylpyrroles
• Direct Parent: Diphenylpyrroles
• Alternative Parents: N-arylpiperazines Phenylpiperazines Aminobenzenesulfonamides Sulfanilides Benzenesulfonyl compounds Aniline and substituted anilines Thiophenol ethers Dialkylarylamines Phenylalkylamines Pyrrole carboxylic acids Alkylarylthioethers Chlorobenzenes Secondary alkylarylamines Organosulfonamides Piperidines Aryl chlorides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Sulfones Secondary alcohols Amino acids Trihalomethanes Trialkylamines Sulfenyl compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organofluorides Alkyl fluorides Organochlorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,3-diphenylpyrrole - Phenylpiperazine - N-arylpiperazine - Aminobenzenesulfonamide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Pyrrole-3-carboxylic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Pyrrole-3-carboxylic acid - Thiophenol ether - Aryl thioether - Secondary aliphatic/aromatic amine - Chlorobenzene - Alkylarylthioether - Halobenzene - Piperazine - Benzenoid - Piperidine - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organosulfonic acid amide - Heteroaromatic compound - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Secondary alcohol - Trihalomethane - Amino acid - Thioether - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organosulfur compound - Amine - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1391107-54-2. InChIKey WQCBFZDVUJBJNR-RRHRGVEJSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.