Name: PKI-179
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320965
Cas No:1197160-28-3
常用名:PKI-179
IUPAC:1-{4-[4-(morpholin-4-yl)-6-{3-oxa-8-azabicyclo[3.2.1]octan-8-yl}-1,3,5-triazin-2-yl]phenyl}-3-(pyridin-4-yl)urea
IUPAC:1-{4-[4-(morpholin-4-yl)-6-{3-oxa-8-azabicyclo[3.2.1]octan-8-yl}-1,3,5-triazin-2-yl]phenyl}-3-(pyridin-4-yl)urea
InChI key:WXUUCRLKXQMWRY-UHFFFAOYSA-N

分子式:C25H28N8O3
分子量:488.552
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2
SMILES:O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2

PKI-179 is a potent and orally active dual PI3K/mTOR inhibitor, with IC50s of 8 nM, 24 nM, 74 nM, 77 nM, and 0.42 nM for PI3K-α, PI3K-β, PI3K-γ, PI3K-δ and mTOR, respectively. PKI-179 also exhibits activity over E545K and H1047R, with IC50s of 14 nM and 11 nM, respectively. PKI-179 shows anti-tumor activity in vivo[1][2].

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