ALX 5407 hydrochloride - ≥98%(HPLC) , CAS No.200006-08-2

CAS: 200006-08-2 Cat. No.: A286994 Peso molecular: 429.92 Número EC: 806-215-3 PubChem CID: 16078946

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid;hydrochloride | DTXSID60582019 | J-012934 | HY-10711A | N-[(3R)-3-([1,1'-Biphenyl]-4-yloxy)-3-(4-fluorophenyl)propyl]-N-methylglycine Hydrochloride | N-[(3R)-3-[([1,1'-Biphenyl

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid;hydrochloride | DTXSID60582019 | J-012934 | HY-10711A | N-[(3R)-3-([1, 1'-Biphenyl]-4-yloxy)-3-(4-fluorophenyl)propyl]-N-methylglycine Hydrochloride | N-[(3R)-3-[([1, 1'-Biphenyl

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Selective non-transportable inhibitor of the glycine transporter GlyT1 (IC50values are 3 nM and > 100μM for human GlyT1c and GlyT2 respectively). Does not recognize other glycine sites, including the glycine site on the NMDA receptor (IC50> 100μM).Racemat

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CN(CCC(C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O.Cl
• IUPAC Name: 2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid;hydrochloride
• InChIKey: RPDGSZCYSJWQEE-GNAFDRTKSA-N
• INCHI: 1S/C24H24FNO3.ClH/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18;/h2-14,23H,15-17H2,1H3,(H,27,28);1H/t23-;/m1./s1
• Isómeros SMILES: CN(CC[C@H](C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O.Cl
• PubChem CID: 16078946
• Peso molecular: 429.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Alpha amino acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Fluorobenzenes Aryl fluorides Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Alpha-amino acid - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Amine - Organic oxide - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:ethanol, Max Conc. mg/mL: 21.5, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 42.99, Max Conc. mM: 100
• Sensibilidad: Moisture sensitive
• Peso molecular: 429.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 429.151 Da
• Monoisotopic Mass: 429.151 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 481.000
• 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: 2

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