N-benzoyl-(2R, 3S)-3-phenylisoserinemethylester - ≥98% , CAS No.32981-85-4

CAS: 32981-85-4 Cat. No.: N133376 Peso molecular: 299.32 Número EC: 608-809-6

GRADE & PURITY ≥98%

Synonyms

SCHEMBL330450 | AMY16035 | F14223 | 3-chloro-4-(dichloromethyl)-5-hydroxy-2,5-dihydrofuran-2-one | Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, methyl ester, (alphaR,betaS)- | methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate | DS-1851

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Description

Bz-RS-iSer(3-Ph)-OMe (compound 2), a Taxol derivative, inhibits HSV replication cycle at low cytotoxicity, blocks mitotic divisions of Vero cells, influences M-MSV induced tumor size and affects immune response by inhibiting PHA-induced T lymphocyte proliferation.

Specifications

Sinónimos

SCHEMBL330450 | AMY16035 | F14223 | 3-chloro-4-(dichloromethyl)-5-hydroxy-2, 5-dihydrofuran-2-one | Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, methyl ester, (alphaR, betaS)- | methyl (2R, 3S)-3-benzamido-2-hydroxy-3-phenylpropanoate | DS-1851

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

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%

Nombres e identificadores

• Pubchem Sid: 504757718
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757718
• Sonrisas canónicas: COC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O
• IUPAC Name: methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
• InChIKey: UYJLJICUXJPKTB-LSDHHAIUSA-N
• INCHI: 1S/C17H17NO4/c1-22-17(21)15(19)14(12-8-4-2-5-9-12)18-16(20)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3,(H,18,20)/t14-,15+/m0/s1
• Isómeros SMILES: COC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O
• Peso molecular: 299.32
• Reaxy-Rn: 4514732
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4514732&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 N-benzylbenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: N-benzylbenzamides
• Alternative Parents: Beta amino acids and derivatives Benzoyl derivatives Fatty acid esters Monosaccharides Methyl esters Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-benzylbenzamide - Beta amino acid or derivatives - Benzoyl - Fatty acid ester - Monosaccharide - Fatty acyl - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Alcohol - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
• 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

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 178-183℃
• Peso molecular: 299.320 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 299.116 Da
• Monoisotopic Mass: 299.116 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 373.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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