VRT-532 - Moligand™, ≥95% , CAS No.38214-71-0

CAS: 38214-71-0 Cat. No.: V351008 Formule: C₁₆H₁₄N₂O Poids moléculaire: 250.29 Numéro CE: 687-388-0 PubChem CID: 781239

GRADE & PURITY Moligand™, ≥95%

Synonyms

4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol | 4-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol | VRT 532 | VRT532

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

A mutated G551D CFTR corrector. VRT-532 mediates G551D-CFTR by enhancing ATP affinity of the mutant. VRT-532 also potentiates F508del mutated CFTR and works specifically on mutant CFTR rather than other membrane proteins.

Specifications

Synonymes

4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol | 4-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol | VRT 532 | VRT532

Spécifications et pureté

Moligand™, ≥95%

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.

Grade

Moligand™

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528767650
• Sourires canoniques: CC1=CC(=C(C=C1)O)C2=CC(=NN2)C3=CC=CC=C3
• IUPAC Name: 4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
• InChIKey: AQWKVJFRGORALM-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18)
• Isomères SMILES: CC1=CC(=C(C=C1)O)C2=CC(=NN2)C3=CC=CC=C3
• WGK Allemagne: 2
• PubChem CID: 781239
• Poids moléculaire: 250.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Cibles associées (humaines)

CFTR Tclin Cystic fibrosis transmembrane conductance regulator (2075 Activities)

Discover Target: CFTR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO
• Poids moléculaire: 250.290 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 250.111 Da
• Monoisotopic Mass: 250.111 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 290.000
• 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