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

CAS: 90580-64-6 Cat. No.: B301437 Formule: C₉H₁₂BNO₄ Poids moléculaire: 209.01 Numéro CE: 807-298-9

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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-(

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504753676

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753676

Sourires canoniques

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)

Isomères SMILES

B(C1=CC=C(C=C1)CC(C(=O)O)N)(O)O

Poids moléculaire

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
    • Classe 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
• Classe: 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
• 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

Cibles associées (humaines)

TIG-1-20 (15 Activities)

Explore this target

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

Cibles associées (non humaines)

B16 (5829 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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