CL264 - Moligand™, ≥98% , CAS No.1510712-69-2

CAS: 1510712-69-2 Cat. No.: C647068 Fórmula: C₁₉H₂₃N₇O₄ Peso molecular: 413.43 PubChem CID: 90362358

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-(4-((6-Amino-2-(butylamino)-8-oxo-7H-purin-9(8H)-yl)methyl)benzamido)acetic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-(4-((6-Amino-2-(butylamino)-8-oxo-7H-purin-9(8H)-yl)methyl)benzamido)acetic acid

Especificaciones y pureza

Moligand™, ≥98%

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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCNC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NCC(=O)O)N
• IUPAC Name: 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetic acid
• InChIKey: BXJWQQWEBUICHY-UHFFFAOYSA-N
• INCHI: 1S/C19H23N7O4/c1-2-3-8-21-18-24-15(20)14-16(25-18)26(19(30)23-14)10-11-4-6-12(7-5-11)17(29)22-9-13(27)28/h4-7H,2-3,8-10H2,1H3,(H,22,29)(H,23,30)(H,27,28)(H3,20,21,24,25)
• Isómeros SMILES: CCCCNC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NCC(=O)O)N
• PubChem CID: 90362358
• Peso molecular: 413.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives
            • Level7 Hippuric acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides - Hippuric acids and derivatives
• Direct Parent: Hippuric acids
• Alternative Parents: N-acyl-alpha amino acids 6-aminopurines Purinones Benzoyl derivatives Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Ureas Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 6-aminopurine - Alpha-amino acid or derivatives - Purinone - Imidazopyrimidine - Purine - Benzoyl - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Urea - Amino acid or derivatives - Amino acid - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
• 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: DMSO : 25 mg/mL (60.47 mM; Need ultrasonic) H2O : <0.1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble)