GRADE & PURITY ≥98%, mixture of isomers

Synonyms

2-amino-3-hydroxy-3-phenylpropanoic acid | DL-beta-Phenylserine, threo form | dl-3-phenylserine | L-threo-3-Phenylserine | DL-threo-beta-Phenylserine | L-threo-phenylserine | DL-Threo-3-phenylserine | beta-Hydroxyphenylalanine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-amino-3-hydroxy-3-phenylpropanoic acid | DL-beta-Phenylserine, threo form | dl-3-phenylserine | L-threo-3-Phenylserine | DL-threo-beta-Phenylserine | L-threo-phenylserine | DL-Threo-3-phenylserine | beta-Hydroxyphenylalanine

Especificaciones y pureza

≥98%, mixture of isomers

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488186807
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186807
• Sonrisas canónicas: C1=CC=C(C=C1)C(C(C(=O)O)N)O
• IUPAC Name: 2-amino-3-hydroxy-3-phenylpropanoic acid
• InChIKey: VHVGNTVUSQUXPS-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)
• Isómeros SMILES: C1=CC=C(C=C1)C(C(C(=O)O)N)O
• CAS alternativo: 69-96-5
• Peso molecular: 181.19
• Reaxy-Rn: 2102175
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2102175&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 Phenylalanine and derivatives

• 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
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids Alpha amino acids Beta hydroxy acids and derivatives Aralkylamines Benzene and substituted derivatives Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Beta-hydroxy acid - Aralkylamine - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Amino acid - Secondary alcohol - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic alcohol - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water, and 0.5N HCI (50 mg/ml - clear, slightly yellow).
• Índice de refracción: n20D1.61 (Predicted)
• Punto de ebullición (°C): ~398.0° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 288.01° C (Predicted)
• Peso molecular: 181.190 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.074 Da
• Monoisotopic Mass: 181.074 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 178.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Hafiz Muhammad Bilal Akram, Yulin Liu, Jianshu Dong, Xueke Zhao, Lidong Wang, Wen Zhao, Hongmin Liu, Liying Ma, Cong Han.  (2025)  Discovery of W478, a novel SHMT2 inhibitor for the treatment of esophageal carcinoma.  BIOORGANIC CHEMISTRY,      [PMID:41014834] [10.1016/j.bioorg.2025.109028]