Name: LBW242
Rating: 5 (10 reviews)

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HIT ID:HIT212672030
Cas No:867324-12-7
常用名:LBW242
IUPAC:(2S)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-octahydro-1H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
IUPAC:(2S)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-octahydro-1H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
InChI key:HCSMRSHIIKPNAK-LSAVBLLPSA-N

分子式:C27H42N4O2
分子量:454.659
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:3.1040182
SMILES:[H][C@@]12CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)[C@]1([H])CN(CCc1ccccc1)CC2
SMILES:[H][C@@]12CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)[C@]1([H])CN(CCc1ccccc1)CC2

LBW242 is a 3-mer and Smac mimetic and is an effective and orally active proapoptotic IAP inhibitor. LBW242 has activity against multiple myeloma and potentiates TRAIL- and anticancer drug-mediated cell death of ovarian cancer cells. LBW242 displays effects on mutant FLT3-expressing cells.

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