CCG-100602 - Moligand™, ≥99% , CAS No.1207113-88-9

CAS: 1207113-88-9 Cat. No.: C647315 Fórmula: C₂₁H₁₇ClF₆N₂O₂ Peso molecular: 478.82 PubChem CID: 46190808

GRADE & PURITY Moligand™, ≥99%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

CCG-100602 is a specific inhibitor of myocardin-related transcription factor A/serum response factor (MRTF-A/SRF) signaling. CCG-100602 specifically block MRTF-A nuclear localization and thus inhibit the fibrogenic transcription factor SRF.

Specifications

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

CCG-100602 is a specific inhibitor of myocardin-related transcription factor A/serum response factor ( MRTF-A/SRF ) signaling. CCG-100602 specifically block MRTF-A nuclear localization and thus inhibit the fibrogenic transcription factor SRF.

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1CC(CN(C1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NC3=CC=C(C=C3)Cl
• IUPAC Name: 1-[3,5-bis(trifluoromethyl)benzoyl]-N-(4-chlorophenyl)piperidine-3-carboxamide
• InChIKey: MOQCFMZWVKQBAP-UHFFFAOYSA-N
• INCHI: 1S/C21H17ClF6N2O2/c22-16-3-5-17(6-4-16)29-18(31)12-2-1-7-30(11-12)19(32)13-8-14(20(23,24)25)10-15(9-13)21(26,27)28/h3-6,8-10,12H,1-2,7,11H2,(H,29,31)
• Isómeros SMILES: C1CC(CN(C1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NC3=CC=C(C=C3)Cl
• PubChem CID: 46190808
• Términos de entrada MeSH: 1-(3,5-bis(trifluoromethyl)benzoyl)-N-(4-chlorophenyl)-3-piperidinecarboxamide;CCG-100602
• Peso molecular: 478.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzoylpiperidines
• Alternative Parents: N-benzoylpiperidines Trifluoromethylbenzenes Piperidinecarboxamides Anilides Benzamides N-arylamides Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organochlorides Organofluorides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzoylpiperidine - 1-benzoylpiperidine - Trifluoromethylbenzene - N-acyl-piperidine - Benzamide - Anilide - Benzoic acid or derivatives - Piperidinecarboxamide - 3-piperidinecarboxamide - N-arylamide - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl 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

Objetivos asociados (humanos)

PC-3 (62116 Activities)

Explore this target

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

RHOA Tbio Transforming protein RhoA (190 Activities)

Discover Target: RHOA

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (208.85 mM; Need ultrasonic)
• Sensibilidad: Light sensitive
• Peso molecular: 478.800 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 478.088 Da
• Monoisotopic Mass: 478.088 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 656.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1