(2S,4S)-Sacubitril

CAS: 149709-63-7

Ref. TR-S080915

Product Information

• Name: (2S,4S)-Sacubitril
• Synonyms: [S-(R*,R*)]-γ-[(3-Carboxy-1-oxopropyl)amino]-α-methyl-[1,1’-biphenyl]-4-pentanoic Acid Ethyl Ester, Sacubitril-(2S,4S) Isomer, 4-(((2S,4S)-1-([1,1’-Biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic Acid,4-(((2S,4S)-1-([1,1'-Biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acid,(4-(((2S,4S)-1-([1,1'-Biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acid)
• Brand: TRC

Description

Stability Moisture Sensitive
Applications (2S,4S)-Sacubitril is an impurity of Sacubitril (S080895) which is an antihypertensive drug used in combination with valsartan.
References McMurray, J., et al.: N. Eng. J. Med., 371 (2014);

Chemical properties

• Molecular weight: 411.49
• Formula: C₂₄H₂₉NO₅
• Color/Form: Neat
• InChI: InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17?,21-/m0/s1
• InChI key: InChIKey=PYNXFZCZUAOOQC-UWJYYQICSA-N
• SMILES: CCOC(=O)[C@@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O