CDK8/19-IN-1 - ≥98% , CAS No.1818427-07-4

CAS: 1818427-07-4 Cat. No.: C1424122 PubChem CID: 126511854

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

CDK8/19-IN-1 is a potent, selective and oral bioavailable CDK8/19 dual inhibitor, with IC 50 s of 0.46 nM, 0.99 nM and 270 nM for CDK8 , CDK19 and CDK9 , respectively.

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COCCNC(=O)C1=NC=C(C=C1)OC2=C3C(=C(S2)C(=O)N)CCC4=C3SN=C4
• IUPAC Name: 8-[6-(2-methoxyethylcarbamoyl)pyridin-3-yl]oxy-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
• InChIKey: NENJFZKQHYXRDQ-UHFFFAOYSA-N
• INCHI: 1S/C19H18N4O4S2/c1-26-7-6-21-18(25)13-5-3-11(9-22-13)27-19-14-12(16(28-19)17(20)24)4-2-10-8-23-29-15(10)14/h3,5,8-9H,2,4,6-7H2,1H3,(H2,20,24)(H,21,25)
• Isomeric SMILES: COCCNC(=O)C1=NC=C(C=C1)OC2=C3C(=C(S2)C(=O)N)CCC4=C3SN=C4
• PubChem CID: 126511854

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Pyridinecarboxylic acids and derivatives Benzothiazoles Thiophene carboxamides 2-heteroaryl carboxamides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Pyridine carboxylic acid or derivatives - 1,2-benzothiazole - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Pyridine - Heteroaromatic compound - Thiophene - Thiazole - Azole - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are 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