4-Borono-Phenylalanine - ≥95% , CAS No.90580-64-6

CAS: 90580-64-6 Cat. No.: B301437 Peso molecular: 209.01 Número EC: 807-298-9

GRADE & PURITY ≥95%

Synonyms

DL-boronophenylalanine | FT-0617691 | LS-13635 | 4-BORONO-PHENYLALANINE | 2-amino-3-(4-boronophenyl)propanoic acid | B(10) BORONOPHENYLALANINE | Phenylalanine, 4-borono- | FT-0617688 | 4-Borono-DL-phenylalanine | BORONOPHENYLALANINE, (+/-)- | Alanine, 3-(

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DL-boronophenylalanine | FT-0617691 | LS-13635 | 4-BORONO-PHENYLALANINE | 2-amino-3-(4-boronophenyl)propanoic acid | B(10) BORONOPHENYLALANINE | Phenylalanine, 4-borono- | FT-0617688 | 4-Borono-DL-phenylalanine | BORONOPHENYLALANINE, (+/-)- | Alanine, 3-(

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504753676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753676
• Sonrisas canónicas: B(C1=CC=C(C=C1)CC(C(=O)O)N)(O)O
• IUPAC Name: 2-amino-3-(4-boronophenyl)propanoic acid
• InChIKey: NFIVJOSXJDORSP-UHFFFAOYSA-N
• INCHI: 1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)
• Isómeros SMILES: B(C1=CC=C(C=C1)CC(C(=O)O)N)(O)O
• Peso molecular: 209.01
• Reaxy-Rn: 3141428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3141428&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 Amphetamines and derivatives Alpha amino acids Aralkylamines Boronic acids Amino acids Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organoboron compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Amino acid - Boronic acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organoboron compound - Amine - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic salt - 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

Objetivos asociados (humanos)

TIG-1-20 (15 Activities)

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

Objetivos asociados (no humanos)

B16 (5829 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 209.010 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 209.086 Da
• Monoisotopic Mass: 209.086 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 216.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3