UCCF-853 - Moligand™ , Activator of CFTR, CAS No.625458-06-2, Activator of CFTR

CAS: 625458-06-2 Cat. No.: U614615 PubChem CID: 17750928

GRADE & PURITY Moligand™

Synonyms

UCCF-853|625458-06-2|1-(3-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one|1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one|1-(3-Chlorophenyl)-1,3-dihydro-5-(trifluoromethyl)-2H-Benzimidazol-2-one|EC-000.1912|GTPL4338|S

Storage

Room temperature

Specifications

同義語

UCCF-853 | 625458-06-2 | 1-(3-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one | 1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one | 1-(3-Chlorophenyl)-1,3-dihydro-5-(trifluoromethyl)-2H-Benzimidazol-2-one | EC-000.1912 | GTPL4338 | S

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ACTIVATOR

作用メカニズム

Activator of CFTR

名前と識別子

• カノニカル・スマイル: C1=CC(=CC(=C1)Cl)N2C3=C(C=C(C=C3)C(F)(F)F)NC2=O
• IUPAC Name: 3-(3-chlorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
• InChIKey: NMPJFFWYEIIGFW-UHFFFAOYSA-N
• INCHI: 1S/C14H8ClF3N2O/c15-9-2-1-3-10(7-9)20-12-5-4-8(14(16,17)18)6-11(12)19-13(20)21/h1-7H,(H,19,21)
• 異性体SMILES: C1=CC(=CC(=C1)Cl)N2C3=C(C=C(C=C3)C(F)(F)F)NC2=O
• 代替CAS番号: 625458-06-2
• PubChem CID: 17750928

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylimidazoles Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 1-phenylimidazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Urea - Azacycle - Organic oxide - Organohalogen compound - Alkyl fluoride - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Alkyl halide - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached 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

関連ターゲット（人間）

CFTR Tclin Cystic fibrosis transmembrane conductance regulator (0 Activities)

Discover Target: CFTR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

化学的性質と物理的性質

• 分子量: 312.670 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 312.028 Da
• Monoisotopic Mass: 312.028 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 418.000
• 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

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 625458-06-2. InChIKey NMPJFFWYEIIGFW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.