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AHU 377 - ≥98%, high purity , Neprilysin inhibitor, CAS No.149709-62-6, Neprilysin inhibitor

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 149709-62-6
Molecular Weight: 411.5
PubChem CID: 9811834
PubChem SID: 488196313

In stock

Item Number

A342776

Grouped product items
SKU	Size	Availability	Price
A342776-5mg	5mg	10	$70.90
A342776-25mg	25mg	8	$184.90
A342776-100mg	100mg	5	$296.90
A342776-250mg	250mg	3	$668.90
A342776-500mg	500mg	2	$1,202.90
A342776-1g	1g	1	$2,165.90

an inhibitor of neprilysin with IC50 value of 5 nM.

View related series

Amino Acid/Protein Metabolism (1836) Metabolic Enzyme/Protease (4860) Neprilysin (11)

Basic Description

Synonyms	SACUBITRIL [ORANGE BOOK] \| AHU 377 \| (2R,4S)-5-biphenyl-4-yl-4-(3-carboxy-propionylamino)-2-methyl-pentanoic acid ethyl ester \| (2R,4S)-5-Biphenyl-4-yl-4-(3-carboxypropionylamino)-2-methylpentanoic acid ethyl ester \| 3-{[(2S,4R)-1-{[1,1'-biphenyl]-4-yl}-5
Specifications & Purity	Moligand™, ≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Neprilysin inhibitor
Product Description	AHU-377 is an inhibitor of neprilysin with IC50 value of 5 nM. AHU-377 and the angiotensin II AT1 receptor antagonist valsartan compose LCZ696 in a 1:1 molar ratio. LCZ696 is an angiotensin receptor neprilysin inhibitor. It can reduce blood pressure and may be a novel drug for the treatment of heart failure. AHU-377 is a prodrug, it can be converted by enzymatic cleavage of the ethyl ester into the active form LBQ657. It is reported that AHU-377(30 and 100 mg/kg, PO) can cause antihypertensive effect in a dose-dependent manner in Dahl-SS rats. But in the DOCA-salt hypertensive rats, it shows a weak reduction.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Gamma amino acids and derivatives Amphetamines and derivatives Fatty acid esters N-acyl amines Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Gamma amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	3.7

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488196313
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196313
IUPAC Name	4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
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+/m1/s1
InChIKey	PYNXFZCZUAOOQC-UTKZUKDTSA-N
Smiles	CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O
Isomeric SMILES	CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O
Molecular Weight	411.5
Reaxy-Rn	14844283
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14844283&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
D2304429	Certificate of Analysis	Mar 25, 2023	A342776
D2304452	Certificate of Analysis	Mar 25, 2023	A342776
D2304430	Certificate of Analysis	Mar 25, 2023	A342776
D2304428	Certificate of Analysis	Mar 25, 2023	A342776
D2304437	Certificate of Analysis	Mar 25, 2023	A342776
D2304436	Certificate of Analysis	Mar 25, 2023	A342776
D2304438	Certificate of Analysis	Mar 25, 2023	A342776
D2304442	Certificate of Analysis	Mar 25, 2023	A342776
D2304435	Certificate of Analysis	Mar 25, 2023	A342776
D2304454	Certificate of Analysis	Mar 25, 2023	A342776
D2304433	Certificate of Analysis	Mar 25, 2023	A342776
D2304434	Certificate of Analysis	Mar 25, 2023	A342776

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Chemical and Physical Properties

Molecular Weight	411.500 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	411.205 Da
Monoisotopic Mass	411.205 Da
Topological Polar Surface Area	92.700 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	550.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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