0375-0604 (KRAS inhibitor-9) - ≥98% , CAS No.300809-71-6

CAS: 300809-71-6 Cat. No.: K412828 Molecular Weight: 292.81

GRADE & PURITY ≥98%

Synonyms

DUN09716

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

0375-0604 (KRAS inhibitor-9, DUN09716) is a potent KRAS inhibitor with Kd of 92 μM that blocks the formation of GTP-KRAS and downstream activation of KRAS. 0375-0604 (KRAS inhibitor-9, DUN09716) causes G2/M cell cycle arrest and induces apoptosis.

Specifications

Synonyms

DUN09716

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

0375-0604 (KRAS inhibitor-9, DUN09716) is a potent KRAS inhibitor with Kd of 92 μM that blocks the formation of GTP-KRAS and downstream activation of KRAS. 0375-0604 (KRAS inhibitor-9, DUN09716) causes G2/M cell cycle arrest and induces apoptosis.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)N)Cl
• IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-chloroaniline
• InChIKey: DTSNLMOLTVGCGZ-UHFFFAOYSA-N
• INCHI: 1S/C13H9ClN2S2/c14-9-7-8(15)5-6-11(9)17-13-16-10-3-1-2-4-12(10)18-13/h1-7H,15H2
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)N)Cl
• Molecular Weight: 292.81
• Reaxy-Rn: 8416338
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8416338&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Benzothiazoles Thiophenol ethers Aniline and substituted anilines Chlorobenzenes Aryl chlorides Thiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - 1,3-benzothiazole - Aniline or substituted anilines - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl 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

Chemical and Physical Properties

• Molecular Weight: 292.800 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 291.99 Da
• Monoisotopic Mass: 291.99 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 292.000
• 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