AEE788 (NVP-AEE788) is a potent EGFR and HER2/ErbB2 inhibitor with IC50 of 2 nM and 6 nM, respectively. It has a slightly weaker effect on VEGFR2/KDR, c-Abl, c-Src, and Flt-1. It has a slightly weaker effect on Ins-R, IGF-1R, and VEGFR2/KDR. PKCα and CDK1 had no inhibitory effect. Phase 1/2.

 

Brand: BCM

 

Target: Apoptosis; EGFR; c-Fms; FLT; Bcr-Abl

 

Signaling Pathways: Angiogenesis; Apoptosis; Cytoskeletal Signaling; JAK/STAT signaling; Tyrosine Kinase/Adaptors

 

In Vitro: AEE788 also inhibits KDR, c-Abl, c-Src, and Flt-1 with an IC50 of 50-80 nM. AEE788 has no effect on ErbB-4, PDGFR-β, Flt-3, Flt-4, RET, and c-Kit, and does not inhibit Ins-R, IGF-1R, PKC-α, and PKA. AEE788 acts on A431 cells and effectively inhibits EGFR phosphorylation with IC50 of 11 nM. AEE788 inhibited KDR and ErbB2 phosphorylation in CHO cells and BT-474 cells, respectively, but had no effect on PDGF induced phosphorylation in A31 cells. AEE788 inhibited proliferation of NCI-H596, MK, BT-474, and SK-BR-3 cells with IC50 of 78, 56, 49, and 381 nM, respectively. AEE788 also inhibits EGFR mutations including 32D/EGFR and 32D/EGFRvIII promoting cell proliferation. AEE788 also inhibited EGF and VEGF-promoted human umbilical vein endothelial cell (HUVEC) proliferation with IC50 of 43 and 155 nM, respectively. AEE788 inhibits EGFR, VEGFR-2, Akt, and MAPK phosphorylation in human skin SCC cell lines (Colo16, HaCaT, SRB1, and SRB12 cells), resulting in growth inhibition and inducing apoptosis. When AEE788 is 0.2-1.0μM, it acts on HT29 cells and inhibits EGFR and Akt phosphorylation. AEE788 acts on medulloblastoma cell lines, inhibiting cell proliferation and inhibiting EGF and neuregulin-induced HER1, HER2, and HER3 activation. AEE788 inhibits the growth of chemical-sensitive and chemical-resistant medulloblastoma cells.

 

Melting Point: 247 °C

 

Solubility: Soluble in DMSO. Insoluble in Water; insoluble in Ethanol.

 

Isomeric SMILES: CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4N[C@H](C)C5=CC=CC=C5  

 

InChIKey: OONFNUWBHFSNBT-HXUWFJFHSA-N  

 

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

 

Attribute
[Chem Name]	6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
[Synonym]	AEE788; NVP-AEE788
[CAS No.]	497839-62-0
[MDL No.]	MFCD11100351
[Formula]	C27H32N6
[Molecular]	440.58
[Form]	White to beige powder
[Storage]	Keep in dark place. Sealed in dry. Store in freezer, under -20°C

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