CLP-3094 - Moligand™,≥95% , CAS No.312749-73-8

CAS: 312749-73-8 Cat. No.: C651365 Summenformel: C₁₅H₁₃ClN₂OS Molekulargewicht: 304.79 PubChem CID: 1736098

GRADE & PURITY Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

CLP-3094 is a potent BF3 (binding function 3)-directed inhibitor of the androgen receptor (AR). CLP-3094 inhibits AR transcriptional activity (IC50=4 μM)[1]. CLP-3094 is a selective, potent GPR142 antagonist.

Specifications

Spezifikationen & Reinheit

Moligand™,≥95%

Biochemische und physiologische Mechanismen

CLP-3094 is a potent BF3 (binding function 3)-directed inhibitor of the androgen receptor (AR) . CLP-3094 inhibits AR transcriptional activity (IC 50 =4 μM). CLP-3094 is a selective, potent GPR142 antagonist.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C2C(=C1)NC(=N2)SCCOC3=CC=C(C=C3)Cl
• IUPAC Name: 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-benzimidazole
• InChIKey: KZEWVENYWPSSOZ-UHFFFAOYSA-N
• INCHI: 1S/C15H13ClN2OS/c16-11-5-7-12(8-6-11)19-9-10-20-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)
• Isomere SMILES: C1=CC=C2C(=C1)NC(=N2)SCCOC3=CC=C(C=C3)Cl
• PubChem CID: 1736098
• Molekulargewicht: 304.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Phenoxy compounds Phenol ethers Chlorobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl chlorides Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Azacycle - Sulfenyl compound - Thioether - Ether - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (328.09 mM; Need ultrasonic)
• Molekulargewicht: 304.800 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 304.044 Da
• Monoisotopic Mass: 304.044 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 300.000
• 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