sacubitril-hemicalcium

InvivoChem Cat #:V4540CAS #:1369773-39-6Purity >=98%

Description: Sacubitril hemicalcium (also known as AHU-377 hemicalcium) is a novel and potent NEP (neutral endopeptidase 24.11) inhibitor with an IC50 of 5 nM. Sacubitril is a component of the heart failure medicine LCZ696. Sacubitril is a prodrug that can be activated to LBQ657 by de-ethylation via esterases. LBQ657 inhibits the enzyme neprilysin, which is responsible for the degradation of atrial and brain natriuretic peptide, two blood pressure lowering peptides that work mainly by reducing blood volume.

References: J Med Chem. 1995 May 12; 38(10):1689-700.; Expert Opin Investig Drugs. 2013 Aug; 22(8):1041-7.; Circ Heart Fail. 2015 Jan; 8(1):71-8.

Related CAS : 1369773-39-6 (hemi-calcium); 149709-62-6 (free acid); 149690-05-1 (sodium); 936623-90-4 (mixture with valsartan); 936623-90-4; 137862-53-4; 149709-44-4 (Sacubitrilat)

-20C for 3 years in powder form

Synonym: AHU337; AHU-337; AHU 337; LCZ696; LCZ 696; LCZ696
IUPAC/Chemical Name: calcium 4-(((2S, 4R)-1-([1, 1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoate
InChi Key: DDLCKLBRBPYKQS-OXXXZDCLSA-L
InChi Code: InChI=1S/2C24H29NO5.Ca/c2*1-3-30-24(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; /h2*4-12, 17, 21H, 3, 13-16H2, 1-2H3, (H, 25, 26)(H, 27, 28); /q; ; +2/p-2/t2*17-, 21+; /m11./s1
SMILES Code: O=C(CCC(N[CH](CC1=CC=C(C=C1)C2=CC=CC=C2)C[CH](C(OCC)=O)C)=O)[O-].O=C(CCC(N[CH](CC3=CC=C(C=C3)C4=CC=CC=C4)C[CH](C(OCC)=O)C)=O)[O-].[Ca+2]