Bezuclastinib - Moligand™, ≥98% , Inhibitor of KIT proto-oncogene; receptor tyrosine kinase, CAS No.1616385-51-3, Inhibitor of KIT proto-oncogene; receptor tyrosine kinase

CAS: 1616385-51-3 Cat. No.: B608032 Formule: C₁₉H₁₇N₅O Poids moléculaire: 331.37 Numéro CE: 885-576-9 PubChem CID: 75593308

GRADE & PURITY Moligand™, ≥98%

Synonyms

UNII-2ROQ545LAG | CGT9486 | CGT-9486 | PLX 9486 [WHO-DD] | 2ROQ545LAG | PLX9486 | PLX-9486 | ,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Bezuclastinib (CGT9486) is a novel, potent and highly selective tyrosine kinase and c-kit D816V inhibitor for the study of advanced mastocytosis.

Specifications

Synonymes

UNII-2ROQ545LAG | CGT9486 | CGT-9486 | PLX 9486 [WHO-DD] | 2ROQ545LAG | PLX9486 | PLX-9486 | ,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of KIT proto-oncogene; receptor tyrosine kinase

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: Cc1c([nH]nc1C(=O)Nc1cnc2c(c1)cc([nH]2)c1ccccc1)C
• IUPAC Name: 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
• InChIKey: NVSHVYGIYPBTEZ-UHFFFAOYSA-N
• INCHI: 1S/C19H17N5O/c1-11-12(2)23-24-17(11)19(25)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,25)(H,23,24)
• Isomères SMILES: CC1=C(NN=C1C(=O)NC2=CN=C3C(=C2)C=C(N3)C4=CC=CC=C4)C
• PubChem CID: 75593308
• Poids moléculaire: 331.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Pyrrolopyridines Pyrazole-5-carboxamides 2-heteroaryl carboxamides Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyrrole - Pyrrolopyridine - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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

Cibles associées (humaines)

KIT Tclin Mast/stem cell growth factor receptor Kit (0 Activities)

Discover Target: KIT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriétés chimiques et physiques

• Solubilité: DMSO: 70 mg/mL (211.24 mM), Sonication is recommended.
• Sensibilité: moisture and light sensitive
• Poids moléculaire: 331.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 331.143 Da
• Monoisotopic Mass: 331.143 Da
• Topological Polar Surface Area: 86.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 480.000
• 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