Sapitinib
2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide
Molecular Identity
Sapitinib
2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide
PubChem CID: 11488320
Sapitinib is a member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an epidermal growth factor receptor antagonist. It is a member of piperidines, an aromatic ether, a member of quinazolines, a secondary amino compound, a tertiary amino compound, a member of monochlorobenzenes and a member of monofluorobenzenes.
2D Structure
Properties
C23H25ClFN5O3
Molecular Formula
473.90
Molecular Weight
g/mol
473.1630
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
88.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
641
Complexity
SMILES
Canonical SMILES
SMILES: CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OCIsomeric SMILES
SMILES: CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OCSynonyms(20)
Sapitinib848942-61-0AZD-89312-(4-((4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)-n-methylacetamidesapitinibumCHEBI:132986DTXSID502339422-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]-N-methylacetamide2-(4-(4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxypiperidin-1-yl)-N-methylacetamide2-[4-[4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamideRefChem:884560DTXCID80156433ErbB Kinase Inhibitor AZD89313499328002AZD8931
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Sapitinib
Loading drug network...