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Sacubitril (sodium)

CAT: 0804-HY-15407B-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15407B-01Size:5 mg
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Description
Sacubitril sodium is a potent and orally active NEP (neprilysin) inhibitor, with an IC50 of 5 nM. Sacubitril sodium enhances the tone of the natriuretic peptide (NP) system and exerts significant antihypertensive effects. Sacubitril sodium is a component of the heart failure medicine LCZ696. Sacubitril sodium can be used for the research of heart failure, hypertension and COVID-19[1][2][3].
CAS Number
149690-05-1
Product Name Alternative
AHU-377 (sodium)
UNSPSC
12352005
Hazard Statement
H319, H413
Target
Neprilysin
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-anti-virus
Field of Research
Infection; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/sacubitril-sodium.html
Purity
99.95
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(CCC(O[Na])=O)N[C@H](CC1=CC=C(C2=CC=CC=C2)C=C1)C[C@@H](C)C(OCC)=O
Molecular Formula
C24H28NNaO5
Molecular Weight
433.47
Precautions
H319, H413
References & Citations
[1]Hegde, L.G., et al. Comparative efficacy of AHU-377, a potent neprilysin inhibitor, in two rat models of volume-dependent hypertension. BMC Pharmacol 11, P33 (2011) . |[2]Vitiello A, et al. Sacubitril, valsartan and SARS-CoV-2. BMJ Evid Based Med. 2020 Jul 27:bmjebm-2020-111497. |[3]Chrysant SG. Pharmacokinetic, pharmacodynamic, and antihypertensive effects of the neprilysin inhibitor LCZ-696: sacubitril/valsartan. J Am Soc Hypertens. 2017 Jul;11 (7) :461-468.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Sacubitril sodium
CAS Number149690-05-1
PubChem CID23707568
IUPAC Namesodium 4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate
Molecular FormulaC24H28NNaO5
Molecular Weight433.5
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity556
SMILES
CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].[Na+]
InChI
InChI=1S/C24H29NO5.Na/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);/q;+1/p-1/t17-,21+;/m1./s1
InChIKey
RRTBVEJIZWGATF-JKSHRDEXSA-M
Chemical Structure
2D Structure
2D structure of Sacubitril sodium
CAS: 149690-05-1
CID: 23707568
Formula: C24H28NNaO5
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass433.18651728
Monoisotopic Mass433.18651728
Topological Polar Surface Area95.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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