497839-62-0
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Molecular Identity
497839-62-0
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID: 10297043
AEE788 is a 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine which adopts an R-configuration. It is a potent inhibitor of human EGFR, VEGFR and HER2 receptor tyrosine kinases and exhibits anticancer and antiangiogenic activity. It has a role as an antineoplastic agent, a trypanocidal drug, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, an apoptosis inducer and an epidermal growth factor receptor antagonist.
2D Structure
Properties
C27H32N6
Molecular Formula
440.60
Molecular Weight
g/mol
440.2688
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
60.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
579
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
497839-62-0AEE-788GNF-Pf-5343NVP-AEE-7886-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amineRefChem:1073687AEE788AEE 788NVP-AEE788(R)-6-(4-((4-Ethylpiperazin-1-yl)methyl)phenyl)-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineAEE788 (NVP-AEE788)6-{4-[(4-Ethylpiperazin-1-Yl)methyl]phenyl}-N-[(1r)-1-Phenylethyl]-7h-Pyrrolo[2,3-D]pyrimidin-4-AmineMFCD11100351F9JLR95I3I
Data from PubChem (NCBI)
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