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AEE 788-[d5]

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General Information
Catalog: BLP-003228
CAS: 1292840-54-0
Molecular Formula: C27H27D5N6
Molecular Weight: 445.61

Chemical Structure

Description	Labelled AEE 788. AEE-788 is an orally bioavailable multiple-receptor tyrosine kinase inhibitor. AEE788 inhibits phosphorylation of the tyrosine kinases of epidermal growth factor receptor (EGFR), human epidermal growth factor receptor 2 (HER2), and vascular endothelial growth factor receptor 2 (VEGF2), resulting in receptor inhibition, the inhibition of cellular proliferation, and induction of tumor cell and tumor-associated endothelial cell apoptosis.
Synonyms	6-[4-[(4-(Ethyl-d5)-1-piperazinyl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; [6-[4-[(4-(Ethyl-d5)piperazin-1-yl)methyl]phenyl]-7H-pyrrolo-[2,3-d]pyrimidin-4-yl]-((R)-1-phenylethyl)amine; NVP-AEE 788-d5
IUPAC Name	6-[4-[[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CAS	497839-62-0 (unlabelled)
Canonical SMILES	CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC(C)C5=CC=CC=C5
InChI	InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1/i1D3,3D2
InChI Key	OONFNUWBHFSNBT-MTOGIFQOSA-N