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

CAS: 296771-07-8 Cat. No.: D651529 Formule: C₁₆H₁₁ClN₆OS Poids moléculaire: 370.82 PubChem CID: 5286209

GRADE & PURITY Moligand™, ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

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

Spécifications et pureté

Moligand™,≥99%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

DEGRADER

Pureté

≥99%

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=NC=C(C=C4)Cl

PubChem CID

5286209

Poids moléculaire

370.82

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 296771-07-8, the molecular formula is C16H11ClN6OS, and the molecular weight is 370.82 g/mol. InChIKey VFWVTIHYVUKNGR-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.