PROTAC CDK9 Degrader-1 - ≥98% , CAS No.2118356-96-8

CAS: 2118356-96-8 Cat. No.: P650019 Fórmula: C₃₃H₃₅N₅O₇ Peso molecular: 613.7 PubChem CID: 132472236

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

PROTAC

Descripción general

PROTAC CDK9 Degrader-1 is a PROTAC connected by ligands for Cereblon and CDK as a selective CDK9 degrader.

In Vitro

PROTAC CDK9 Degrader-1 (Compound 3; 2.5-20 μM; 6 hours) degrades CDK9 in a dose dependent manner in HCT116 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: HCT116 cells Concentration: 2.5, 5, 10, and 20μM Incubation Time: 6 hours Result: Degraded CDK9 in a dose dependent manner.

Form:Solid

IC50& Target:CDK9

Specifications

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

PROTAC CDK9 Degrader-1 is a PROTAC connected by ligands for Cereblon and CDK as a selective CDK9 degrader.

Condiciones de almacenamiento de almacenamiento

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.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1CC(C1)C2=CC(=NN2)NC(=O)CC3=CC=C(C=C3)OCCCCCOC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O

IUPAC Name

N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentoxy]phenyl]acetamide

InChIKey

WCEHIDWONYOKOJ-UHFFFAOYSA-N

INCHI

1S/C33H35N5O7/c39-28-15-14-25(31(41)35-28)38-32(42)23-8-5-9-26(30(23)33(38)43)45-17-3-1-2-16-44-22-12-10-20(11-13-22)18-29(40)34-27-19-24(36-37-27)21-6-4-7-21/h5,8-13,19,21,25H,1-4,6-7,14-18H2,(H,35,39,41)(H2,34,36,37,40)

Isómeros SMILES

C1CC(C1)C2=CC(=NN2)NC(=O)CC3=CC=C(C=C3)OCCCCCOC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O

PubChem CID

132472236

Peso molecular

613.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Phenylacetamides Alpha amino acids and derivatives Isoindoles Piperidinediones Phenoxy compounds Phenol ethers N-arylamides Delta lactams Alkyl aryl ethers N-substituted carboxylic acid imides Imidolactams Pyrazoles N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Phenylacetamide - Alpha-amino acid or derivatives - Isoindole - Phenoxy compound - N-arylamide - Piperidinedione - Phenol ether - Piperidinone - Delta-lactam - Alkyl aryl ether - Imidolactam - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Azole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : ≥ 104 mg/mL (169.47 mM)
• Peso molecular: 613.700 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 613.254 Da
• Monoisotopic Mass: 613.254 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1110.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 2118356-96-8, the molecular formula is C33H35N5O7, and the molecular weight is 613.7 g/mol. InChIKey WCEHIDWONYOKOJ-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.