LHW090-A7 - ≥97% , CAS No.1308256-94-1

CAS: 1308256-94-1 Cat. No.: L412157 Molecular Weight: 375.85 PubChem CID: 58280516

GRADE & PURITY ≥97%

Synonyms

LHW090-A7|1308256-94-1|(S)-3-(3'-Chloro-[1,1'-biphenyl]-4-yl)-2-(((S)-1-ethoxy-1-oxopropan-2-yl)amino)propanoic acid|LHW090-a7 acid|RUQ5JTB7HR|UNII-RUQ5JTB7HR|(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid|(1,1'-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

LHW090-A7 is an inhibitor of neutral endopeptidase (NEP) which is an enzyme responsible for the metabolic inactivation of enkephalins.

Specifications

Synonyms

LHW090-A7 | 1308256-94-1 | (S)-3-(3'-Chloro-[1, 1'-biphenyl]-4-yl)-2-(((S)-1-ethoxy-1-oxopropan-2-yl)amino)propanoic acid | LHW090-a7 acid | RUQ5JTB7HR | UNII-RUQ5JTB7HR | (2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid | (1, 1'-

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

LHW090-A7\xa0is an inhibitor of neutral endopeptidase (NEP) which is an enzyme responsible for the metabolic inactivation of enkephalins.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C(C)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)C(=O)O
• IUPAC Name: (2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid
• InChIKey: PWYAUIUPDMSWJH-UGSOOPFHSA-N
• INCHI: 1S/C20H22ClNO4/c1-3-26-20(25)13(2)22-18(19(23)24)11-14-7-9-15(10-8-14)16-5-4-6-17(21)12-16/h4-10,12-13,18,22H,3,11H2,1-2H3,(H,23,24)/t13-,18-/m0/s1
• Isomeric SMILES: CCOC(=O)[C@H](C)N[C@@H](CC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)C(=O)O
• PubChem CID: 58280516
• Molecular Weight: 375.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid esters Chlorinated biphenyls Phenylpropanoic acids Alanine and derivatives L-alpha-amino acids Amphetamines and derivatives Aralkylamines Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Carboxylic acid esters Amino acids Carboxylic acids Dialkylamines Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - Chlorinated biphenyl - Biphenyl - Alanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Chlorobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Amino acid - Secondary aliphatic amine - Carboxylic acid - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 375.800 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 375.124 Da
• Monoisotopic Mass: 375.124 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 465.000
• 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