dCeMM2 - Moligand™,≥99% , CAS No.296771-07-8

CAS: 296771-07-8 Cat. No.: D651529 Peso molecular: 370.82 PubChem CID: 5286209

GRADE & PURITY Moligand™, ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

dCeMM2 is a glue degrader. dCeMM2 prompts an interaction of CDK12-cyclin K with a CRL4B ligase complex, leading to the ubiquitination and degradation of cyclin K.

Specifications

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

dCeMM2 (Compound 2) is a glue degrader. dCeMM2 induces ubiquitination and degradation of cyclin K by prompting an interaction of CDK12-cyclin K with a CRL4B ligase complex.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

DEGRADER

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=NC=C(C=C4)Cl
• IUPAC Name: N-(5-chloropyridin-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
• InChIKey: VFWVTIHYVUKNGR-UHFFFAOYSA-N
• INCHI: 1S/C16H11ClN6OS/c17-9-5-6-12(18-7-9)20-13(24)8-25-16-21-15-14(22-23-16)10-3-1-2-4-11(10)19-15/h1-7H,8H2,(H,18,20,24)(H,19,21,23)
• Isómeros SMILES: C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=NC=C(C=C4)Cl
• PubChem CID: 5286209
• Peso molecular: 370.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: N-arylamides Alkylarylthioethers 1,2,4-triazines Aryl chlorides Benzenoids Imidolactams Pyridines and derivatives Heteroaromatic compounds Pyrroles Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl thioether - N-arylamide - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - 1,2,4-triazine - Imidolactam - Benzenoid - Triazine - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Propiedades químicas y físicas

• Peso molecular: 370.800 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 370.04 Da
• Monoisotopic Mass: 370.04 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 486.000
• 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