KN 92 - 10mM in DMSO , CAS No.1135280-28-2

CAS: 1135280-28-2 Cat. No.: K420684 Formula: C₂₄H₂₅ClN₂O₃S.H₃PO₄ Molecular Weight: 554.98

GRADE & PURITY 10mM in DMSO

Synonyms

KN92-H3PO4 | s6507 | (E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-4-methoxybenzenesulfonamide phosphate | DTXSID90585194 | 2-[N-(4-Methoxybenzenesulfonyl)]amino-N-(4-chlorocinnamyl)-N-methylbenzylamine, Phosphate | J-002985 | KN92 phos

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

KN-92 is an inactive derivative of KN-93, the selective inhibitor of Ca2+/calmodulin-dependent kinase type II (CaMKII).

Specifications

Synonyms

KN92-H3PO4 | s6507 | (E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-4-methoxybenzenesulfonamide phosphate | DTXSID90585194 | 2-[N-(4-Methoxybenzenesulfonyl)]amino-N-(4-chlorocinnamyl)-N-methylbenzylamine, Phosphate | J-002985 | KN92 phos

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Inactive analog of the CaM kinase II inhibitorKN 93. Potassium channel (Kv1.2, 1.4, 1.5, 2.1, 3.2 and hERG) blockerin vitro.Active Analogalso available.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528765052

Canonical Smiles

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

IUPAC Name

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

InChIKey

XRQHWVVDNMJDEQ-IPZCTEOASA-N

INCHI

1S/C24H25ClN2O3S.H3O4P/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;1-5(2,3)4/h3-16,26H,17-18H2,1-2H3;(H3,1,2,3,4)/b6-5+;

Isomeric SMILES

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

Molecular Weight

554.98

Reaxy-Rn

10507363

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10507363&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Styrenes Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Alkyl aryl ethers Chlorobenzenes Aralkylamines Organosulfonamides Organic phosphoric acids and derivatives Aryl chlorides Aminosulfonyl compounds Trialkylamines Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Benzylamine - Phenol ether - Styrene - Anisole - Aralkylamine - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic phosphoric acid derivative - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Ether - Organochloride - Organic oxygen compound - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 555.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 554.104 Da
• Monoisotopic Mass: 554.104 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 700.000
• 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: 2

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