Navocaftor - ≥99% , Cystic fibrosis transmembrane conductance regulator positive modulator, CAS No.2159103-66-7, Cystic fibrosis transmembrane conductance regulator positive modulator

CAS: 2159103-66-7 Cat. No.: N651324 Molecular Weight: 416.33 PubChem CID: 132189640

GRADE & PURITY ≥99%

Synonyms

Navocaftor | CHEMBL4802150 | Navocaftor [USAN:INN] | [5-[3-amino-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]-1,3,4-oxadiazol-2-yl]methanol | ABBV-3067 | MS-27234 | 1,3,4-Oxadiazole-2-methanol, 5-(3-amino-5-((4-(trifluoromethoxy)phenyl)sulfonyl)-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Navocaftor (GLPG 3067), as a cystic fibrosis transmembrane regulator ( CFTR ), is a protein modulator (US 20200377491 Al, example 1)

In Vitro

Navocaftor, as a cystic fibrosis transmembrane regulator ( CFTR ), is a protein modulator. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CFTR

Specifications

Synonyms

Navocaftor | CHEMBL4802150 | Navocaftor [USAN:INN] | [5-[3-amino-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]-1, 3, 4-oxadiazol-2-yl]methanol | ABBV-3067 | MS-27234 | 1, 3, 4-Oxadiazole-2-methanol, 5-(3-amino-5-((4-(trifluoromethoxy)phenyl)sulfonyl)-2-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Navocaftor (GLPG 3067), as a cystic fibrosis transmembrane regulator ( CFTR ), is a protein modulator (US 20200377491 Al, example 1).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

POSITIVE MODULATOR

Mechanism of action

Cystic fibrosis transmembrane conductance regulator positive modulator

Purity

≥99%

Product Properties

• ALogP: 0.8

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)C2=CC(=C(N=C2)C3=NN=C(O3)CO)N
• IUPAC Name: [5-[3-amino-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
• InChIKey: WOXOLLSAICIZNO-UHFFFAOYSA-N
• INCHI: 1S/C15H11F3N4O5S/c16-15(17,18)27-8-1-3-9(4-2-8)28(24,25)10-5-11(19)13(20-6-10)14-22-21-12(7-23)26-14/h1-6,23H,7,19H2
• Isomeric SMILES: C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)C2=CC(=C(N=C2)C3=NN=C(O3)CO)N
• PubChem CID: 132189640
• Molecular Weight: 416.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Phenoxy compounds Phenol ethers Aminopyridines and derivatives Sulfones Heteroaromatic compounds 1,3,4-oxadiazoles Trihalomethanes Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonyl group - Phenoxy compound - Phenol ether - Aminopyridine - Pyridine - Heteroaromatic compound - Sulfonyl - Sulfone - Oxadiazole - Azole - 1,3,4-oxadiazole - Trihalomethane - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

Chemical and Physical Properties

• Solubility: DMSO : <1 mg/mL (ultrasonic) (insoluble or slightly soluble)