E 7820 - 10mM in DMSO , CAS No.289483-69-8

CAS: 289483-69-8 Cat. No.: E423016 分子式: C₁₇H₁₂N₄O₂S 分子量: 336.37

GRADE & PURITY 10mM in DMSO

Synonyms

DTXSID20183142 | LWGUASZLXHYWIV-UHFFFAOYSA-N | T2402 | 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide | AC-36189 | HY-113248 | O6M | HY-14571 | Q27290435 | s3838 | FT-0714239 | 8-N-Boc-5,6,7,8-Tetrahydro-1,8-Naphthyridin-2-propoinicacid | F2

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

DTXSID20183142 | LWGUASZLXHYWIV-UHFFFAOYSA-N | T2402 | 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide | AC-36189 | HY-113248 | O6M | HY-14571 | Q27290435 | s3838 | FT-0714239 | 8-N-Boc-5,6,7,8-Tetrahydro-1,8-Naphthyridin-2-propoinicacid | F2

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

α2integrin inhibitor. Inhibits angiogenesisin vitro(IC50= 0.11 - 0.25 μM). Also inhibits growth of human colorectal cancer cell lines. Enhances efficacy of erlotinib in a non-small-cell lung cancer xenograft model. Also acts as a molecular glue to induce

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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

パブケム・シド

528764321

カノニカル・スマイル

CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N

IUPAC Name

3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide

InChIKey

LWGUASZLXHYWIV-UHFFFAOYSA-N

INCHI

1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3

異性体SMILES

CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N

分子量

336.37

Reaxy-Rn

11343176

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343176&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Indoles Benzenesulfonyl compounds Benzonitriles Substituted pyrroles Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Indole - Indole or derivatives - Benzenesulfonyl group - Benzonitrile - Substituted pyrrole - Organosulfonic acid amide - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Nitrile - Azacycle - Carbonitrile - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

化学的性質と物理的性質

• 分子量: 336.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 336.068 Da
• Monoisotopic Mass: 336.068 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 668.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1