8RC

6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide


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Chemical Component Summary

Name6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide
SynonymsNaquotinib
Identifiers6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3~{R})-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazine-2-carboxamide
FormulaC30 H42 N8 O3
Molecular Weight562.706
TypeNON-POLYMER
Isomeric SMILESCCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C
InChIInChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1
InChIKeyQKDCLUARMDUUKN-XMMPIXPASA-N

Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count1
Bond Count87
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB12036 
NameNaquotinib
Groups investigational
DescriptionNaquotinib has been used in trials studying the treatment of Solid Tumors, Non-small Cell Lung Cancer, Non-Small-Cell Lung Cancer (NSCLC), Epidermal Growth Factor Receptor Mutations, and Epidermal Growth Factor Receptor (EGFR) Mutations, among others.
Synonyms
  • Naquotinib
  • Naquotinib Mesylate
Categories
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Protein Kinase Inhibitors
CAS number1448232-80-1

Related Resource References

Resource NameReference
Pharos CHEMBL3663929
PubChem 71667668
ChEMBL CHEMBL3663929