ML9

2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one


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Chemical Component Summary

Name2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Identifiers2-azanyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methyl-pyrido[2,3-d]pyrimidin-7-one
FormulaC22 H27 N5 O4
Molecular Weight425.481
TypeNON-POLYMER
Isomeric SMILESCc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO
InChIInChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16-
InChIKeyXDLYKKIQACFMJG-WKILWMFISA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count61
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB11974 
NamePF-04691502
Groups investigational
DescriptionPF-04691502 has been used in trials studying the treatment of Cancer, Breast Neoplasms, Early Breast Cancer (Phase 2), and Advanced Breast Cancer (Phase 1b).
SynonymsPF-04691502
Categories
  • Phosphatidylinositol 3-Kinases, antagonists & inhibitors
  • Pyridines
CAS number1013101-36-4