CD73-IN-1 - ≥99% , CAS No.2132396-40-6

CAS: 2132396-40-6 Cat. No.: C649018 Formule: C₁₈H₁₇N₃O₄S Poids moléculaire: 371.41 PubChem CID: 130406413

QUALITÉ & PURETÉ ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

CD73-IN-1 is an inhibitor of CD73 which can be used in the treatment of cancer extracted from patent WO 2017153952 A1, example 80.

Form:Solid

IC50& Target:CD73

Spécifications

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

CD73-IN-1 is an inhibitor of CD73 which can be used in the treatment of cancer extracted from patent WO 2017153952 A1, example 80.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Sourires canoniques

C1CC1C2=CC3=C(N2)C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)N

IUPAC Name

5-[(2-cyclopropyl-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide

InChIKey

YUGALILHRFUCAY-UHFFFAOYSA-N

INCHI

1S/C18H17N3O4S/c19-18(23)14-9-13(5-6-17(14)22)26(24,25)21-12-4-3-11-7-15(10-1-2-10)20-16(11)8-12/h3-10,20-22H,1-2H2,(H2,19,23)

PubChem CID

130406413

Poids moléculaire

371.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Salicylamides Indoles Benzamides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Sulfonyls Pyrroles Organosulfonic acids and derivatives Heteroaromatic compounds Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Salicylic acid or derivatives - Salicylamide - Benzenesulfonamide - Indole or derivatives - Indole - Benzoic acid or derivatives - Benzamide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Heteroaromatic compound - Vinylogous acid - Sulfonyl - Organosulfonic acid or derivatives - Pyrrole - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 150 mg/mL (403.87 mM; Need ultrasonic and warming)
• Poids moléculaire: 371.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 371.094 Da
• Monoisotopic Mass: 371.094 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 645.000
• 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