ARN272 - ≥98% , CAS No.488793-85-7

CAS: 488793-85-7 Cat. No.: A412210 Peso molecular: 432.47

GRADE & PURITY ≥98%

Synonyms

4-[[4-(4-hydroxyphenyl)-1-phthalazinyl]amino]-N-phenyl-benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

ARN272 is a FAAH-like anandamide transporter (FLAT) inhibitor.

Specifications

Sinónimos

4-[[4-(4-hydroxyphenyl)-1-phthalazinyl]amino]-N-phenyl-benzamide

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

ARN272 is a FAAH-like anandamide transporter (FLAT) inhibitor.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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: 488191810
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191810
• Sonrisas canónicas: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)O
• IUPAC Name: 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide
• InChIKey: UPKNGUQNXSMHBE-UHFFFAOYSA-N
• INCHI: 1S/C27H20N4O2/c32-22-16-12-18(13-17-22)25-23-8-4-5-9-24(23)26(31-30-25)28-21-14-10-19(11-15-21)27(33)29-20-6-2-1-3-7-20/h1-17,32H,(H,28,31)(H,29,33)
• Isómeros SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)O
• Peso molecular: 432.47
• Reaxy-Rn: 43507563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43507563&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Phenylpyridazines Phthalazines Benzamides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Imidolactams Heteroaromatic compounds Amino acids and derivatives Secondary amines Carboxylic acid amides Azacyclic compounds Amidines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Phenylpyridazine - Diazanaphthalene - Phthalazine - Benzoic acid or derivatives - Benzamide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Imidolactam - Pyridazine - N-acyl-amine - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

• Peso molecular: 432.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 432.159 Da
• Monoisotopic Mass: 432.159 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 624.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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