Debio 0617B , CAS No.1332329-27-7

CAS: 1332329-27-7 Cat. No.: D1428507 PubChem CID: 67328148

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Overview

Debio 0617B, a multi-kinase inhibitor, reduces maintenance and self-renewal of primary human AML CD34 + stem/progenitor cells. Debio 0617B has a unique profile targeting key kinases upstream of STAT3/STAT5 signaling such as JAK , SRC , ABL, and class III/V receptor tyrosine kinases (TKs). Debio 0617B has documented efficacy in STAT3-driven solid tumors.

Specifications

Storage

Store at -20°C

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CNC(=O)C1=CC=C(C=C1)NC2=NC=C3CN(CCC3=N2)C4=C(C=CC(=C4)NC(=O)C5=NC=CC(=C5)C(F)(F)F)Cl
• IUPAC Name: N-[4-chloro-3-[2-[4-(methylcarbamoyl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
• InChIKey: FLJSOYXRJCMRAE-UHFFFAOYSA-N
• INCHI: 1S/C28H23ClF3N7O2/c1-33-25(40)16-2-4-19(5-3-16)37-27-35-14-17-15-39(11-9-22(17)38-27)24-13-20(6-7-21(24)29)36-26(41)23-12-18(8-10-34-23)28(30,31)32/h2-8,10,12-14H,9,11,15H2,1H3,(H,33,40)(H,36,41)(H,35,37,38)
• Isomeric SMILES: CNC(=O)C1=CC=C(C=C1)NC2=NC=C3CN(CCC3=N2)C4=C(C=CC(=C4)NC(=O)C5=NC=CC(=C5)C(F)(F)F)Cl
• PubChem CID: 67328148
• MeSH Entry Terms: Debio 0617B;N-(4-chloro-3-(2-((4-(methylcarbamoyl)phenyl)amino)-7,8-dihydropyrido(4,3-d)pyrimidin-6(5H)yl)phenyl)-4(trifluoromethyl)picolinamide

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Pyridopyrimidines Pyridinecarboxamides Benzamides 2-heteroaryl carboxamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organofluorides Alkyl fluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Pyridopyrimidine - Benzamide - Benzoic acid or derivatives - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Amine - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Organochloride - Organofluoride - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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