Name: Ipatasertib-NH2 dihydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322168
Cas No:1001264-73-8
常用名:Ipatasertib-NH2 dihydrochloride
别名:RG7440-NH2 dihydrochloride, Ipatasertib-NH2 dihydrochloride, GDC-0068-NH2 dihydrochloride
别名:RG7440-NH2 dihydrochloride, Ipatasertib-NH2 dihydrochloride, GDC-0068-NH2 dihydrochloride
IUPAC:(2S)-3-amino-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one dihydrochloride
IUPAC:(2S)-3-amino-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one dihydrochloride
InChI key:JUPJLFOYULADQR-AXGUDRQCSA-N

分子式:C21H28Cl3N5O2
分子量:488.84
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.Cl.C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CN)c3ccc(Cl)cc3)c12
SMILES:Cl.Cl.C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CN)c3ccc(Cl)cc3)c12

Ipatasertib-NH2 dihydrochloride is a ligand for the target protein AKT in PROTAC INY-03-041. INY-03-041 consists of Ipatasertib-NH2, a ten-hydrocarbon linker, and the CRBN ligand Lenalidomide, which acts as an E3 ubiquitin ligase.

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