CAS 867324-12-7

(2S)-N-[(1S)-1-Cyclohexyl-2-[(3aR,7aS)-octahydro-6-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

Description:

The chemical substance with the name "(2S)-N-[(1S)-1-Cyclohexyl-2-[(3aR,7aS)-octahydro-6-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide" and CAS number "867324-12-7" is a complex organic compound characterized by its chiral centers and multiple functional groups. It features a propanamide backbone, which is indicative of its potential biological activity, particularly in pharmacology. The presence of a cyclohexyl group and a pyrrolopyridine moiety suggests that it may interact with biological targets, possibly as a receptor modulator or enzyme inhibitor. The compound's stereochemistry, denoted by the specific configurations at various chiral centers, is crucial for its biological activity and efficacy. Additionally, the presence of a phenylethyl group may enhance lipophilicity, influencing its pharmacokinetic properties. Overall, this compound exemplifies the complexity often found in drug-like molecules, with implications for medicinal chemistry and therapeutic applications.

Formula: C₂₇H₄₂N₄O₂

InChI: InChI=1S/C27H42N4O2/c1-20(28-2)26(32)29-25(23-11-7-4-8-12-23)27(33)31-18-15-22-14-17-30(19-24(22)31)16-13-21-9-5-3-6-10-21/h3,5-6,9-10,20,22-25,28H,4,7-8,11-19H2,1-2H3,(H,29,32)/t20-,22+,24+,25-/m0/s1

InChI key: InChIKey=HCSMRSHIIKPNAK-LSAVBLLPSA-N

SMILES: C([C@@H](NC([C@@H](NC)C)=O)[C@H]1CCCCC1)(=O)N2[C@]3([C@@](CC2)(CCN(CCC4=CC=CC=C4)C3)[H])[H]

Synonyms:

• LBW 242
• (2S)-N-[(1S)-1-Cyclohexyl-2-[(3aR,7aS)-octahydro-6-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
• Propanamide, N-[(1S)-1-cyclohexyl-2-[(3aR,7aS)-octahydro-6-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridin-1-yl]-2-oxoethyl]-2-(methylamino)-, (2S)-

LBW242

CAS: 867324-12-7

LBW242: oral 3-mer Smac mimetic, IAP inhibitor, targets multiple myeloma, enhances TRAIL/chemo death in ovarian cancer, active on mutant FLT3 cells.

Formula: C₂₇H₄₂N₄O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 454.65

Ref: TM-T15723