QQC

3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine


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Chemical Component Summary

Name3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
Identifiers3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
FormulaC23 H25 Cl F N7 O
Molecular Weight469.942
TypeNON-POLYMER
Isomeric SMILESCc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5
InChIInChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
InChIKeySQSZANZGUXWJEA-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count62
Aromatic Bond Count21

Drug Info: DrugBank

DrugBank IDDB13040 
NameGandotinib
Groups investigational
DescriptionGandotinib has been used in trials studying the treatment of Myelofibrosis, Polycythemia Vera, Primary Myelofibrosis, Thrombocythemia, Essential, and Myeloproliferative Disorders, among others.
Synonyms
  • IMIDAZO(1,2-B)PYRIDAZIN-6-AMINE, 3-((4-CHLORO-2-FLUOROPHENYL)METHYL)-2-METHYL-N-(5- METHYL-1H-PYRAZOL-3-YL)-8-(4-MORPHOLINYLMETHYL)-
  • 3-(4-CHLORO-2-FLUOROBENZYL)-2-METHYL-N-(5-METHYL-1H-PYRAZOL-3-YL)-8- (MORPHOLINOMETHYL)IMIDAZO(1,2-B)PYRIDAZIN-6-AMINE
  • Gandotinib
  • Adenosine triphosphate type 1 competitive inhibitor of JAK2 V617F tyrosine kinase
Categories
  • Janus Kinase 2, antagonists & inhibitors
  • Janus Kinases, antagonists & inhibitors
CAS number1229236-86-5

Related Resource References

Resource NameReference
Pharos CHEMBL2107823
PubChem 46213929
ChEMBL CHEMBL2107823
ChEBI CHEBI:188757