KN-92 - ≥98% , CAS No.176708-42-2

CAS: 176708-42-2 Cat. No.: K125022 分子式: C₂₄H₂₅ClN₂O₃S 分子量: 456.98

GRADE & PURITY ≥98%

Synonyms

KN 92｜KN92

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要

KN-92はKN-93の不活性誘導体である。KN-93はCa2+/カルモジュリン依存性キナーゼII(CaMKII)の選択的阻害剤であり、キナーゼへのCaMの結合を競合的に阻害する(Ki = 370 nM)。

Specifications

同義語

KN 92｜KN92

仕様と純度

≥98%

生化学的・生理学的メカニズム

KN-92は、KN-93のアンタゴニスト活性を解明するための研究において、コントロール化合物として使用されることを意図している。KN-93は、ヒスタミンによって誘導されるアミノピリンの頭頂細胞への取り込みを阻害する（IC50 = 300 nM）。KN-93はCaMK

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥98%

名前と識別子

パブケム・シド

528765055

カノニカル・スマイル

CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)OC

IUPAC Name

N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-4-methoxybenzenesulfonamide

InChIKey

RUAOVVIUGUOYHA-AATRIKPKSA-N

INCHI

1S/C24H25ClN2O3S/c1-27(17-5-6-19-9-11-21(25)12-10-19)18-20-7-3-4-8-24(20)26-31(28,29)23-15-13-22(30-2)14-16-23/h3-16,26H,17-18H2,1-2H3/b6-5+

異性体SMILES

CN(C/C=C/C1=CC=C(C=C1)Cl)CC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)OC

分子量

456.98

Reaxy-Rn

8352176

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8352176&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 Benzenesulfonyl compounds Styrenes Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkyl aryl ethers Aralkylamines Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Trialkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Organosulfonic acid amide - Aryl chloride - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Ether - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Amine - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic homomonocyclic 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO
• 分子量: 457.000 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 456.127 Da
• Monoisotopic Mass: 456.127 Da
• Topological Polar Surface Area: 67.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1