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Substance Name: Dasatinib [USAN:INN:BAN:JAN]
RN: 863127-77-9
UNII: RBZ1571X5H
InChIKey: XHXFZZNHDVTMLI-UHFFFAOYSA-N

Notes

  • A pyrimidine and thiazole derived ANTINEOPLASTIC AGENT and PROTEIN KINASE INHIBITOR of BCR-ABL KINASE. It is used in the treatment of patients with CHRONIC MYELOID LEUKEMIA who are resistant or intolerant to IMATINIB.
  • NCI: An orally bioavailable synthetic small molecule-inhibitor of SRC-family protein-tyrosine kinases. Dasatinib binds to and inhibits the growth-promoting activities of these kinases. Apparently because of its less stringent binding affinity for the BCR-ABL kinase, dasatinib has been shown to overcome the resistance to imatinib of chronic myeloid leukemia (CML) cells harboring BCR-ABL kinase domain point mutations. SRC-family protein-tyrosine kinases interact with a variety of cell-surface receptors and participate in intracellular signal transduction pathways; tumorigenic forms can occur through altered regulation or expression of the endogenous protein and by way of virally-encoded kinase genes. (NCI Thesaurus)

Molecular Formula

  • C22-H26-Cl-N7-O2-S.H2-O

Molecular Weight

  • 506.0282
 

Classification Codes

  • Anti-Cancer
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Protein Kinase Inhibitors

Names and Synonyms

Name of Substance

  • Dasatinib
  • Dasatinib [USAN:INN:BAN:JAN]

MeSH Heading

  • Dasatinib

Synonyms

  • BMS 35482503
  • BMS-354825-03
  • Dasatinib
  • Dasatinib hydrate
  • N-(2-Chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide hydrate
  • Sprycel
  • UNII-RBZ1571X5H

Systematic Name

  • 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-, monohydrate

Registry Numbers

CAS Registry Number

  • 863127-77-9

FDA UNII

  • RBZ1571X5H

System Generated Number

  • 0863127779

Molecular Formulas

Molecular Formula

  • C22-H26-Cl-N7-O2-S.H2-O

Molecular Formula Fragments

  • C22-H26-Cl-N7-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H26ClN7O2S.H2O/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);1H2

InChIKey

XHXFZZNHDVTMLI-UHFFFAOYSA-N

Smiles

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl.O