L-Homophenylalanine - ≥98% , CAS No.943-73-7

CAS: 943-73-7 Cat. No.: H106213 Peso molecular: 179.22 Beilstein Registry Number: 14(4)1710 Número EC: 213-403-3

GRADE & PURITY ≥98%

Synonyms

(+)-2-amino-4-phenylbutyric acid | (s)-homophenylalanine | H0985 | AM20041444 | J-640374 | AS-14310 | HY-I1029 | L-.GAMMA.-PHENYLBUTYRINE | L-HPA | Homophenylalanine | L-hph | homophenylalanine, l- | UNII-8JYL44CC06 | BBA25087 | CHEBI:43103 | BENZENEBUTAN

Storage

Room temperature

Shipped In

Normal

Descripción general

application：

L-Homophenylalanine is used as a precursor in the pharmaceutical industry for the production of angiotensin-converting enzyme (ACE) and R-(-)-Homophenylalanin-ethylester. It is also involved in the synthesis of NEPA [(S,S)-N-(1-Ethoxycarbonyl-3-phenylpropyl)alanine], which is a key intermediate to prepare the ACE-inhibitors: enalapril, delapril, quinapril and ramipril. It acts as an anti-tumor reagent.

Specifications

Sinónimos

(+)-2-amino-4-phenylbutyric acid | (s)-homophenylalanine | H0985 | AM20041444 | J-640374 | AS-14310 | HY-I1029 | L-.GAMMA.-PHENYLBUTYRINE | L-HPA | Homophenylalanine | L-hph | homophenylalanine, l- | UNII-8JYL44CC06 | BBA25087 | CHEBI:43103 | BENZENEBUTAN

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760891
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760891
• Sonrisas canónicas: C1=CC=C(C=C1)CCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-4-phenylbutanoic acid
• InChIKey: JTTHKOPSMAVJFE-VIFPVBQESA-N
• INCHI: 1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)CC[C@@H](C(=O)O)N
• Peso molecular: 179.22
• Beilstein: 14(4)1710
• Reaxy-Rn: 2805875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2805875&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: L-alpha-amino acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: non-proteinogenic L-alpha-amino acid

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

Objetivos asociados (humanos)

APAF1 Tchem Apoptotic protease-activating factor 1 (1188 Activities)

Discover Target: APAF1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in dilute aqueous acid
• Rotación específica [α]: 44 ° (C=1, 3mol/L HCl)
• Punto de fusión (°C): 300°C
• Peso molecular: 179.220 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 164.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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