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PROTAC CDK9 degrader-7

CAT: 0804-HY-149964-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149964-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC CDK9 degrader-7 is a PROTAC targeting to CDK9 sepcifically. PROTAC CDK9 degrader-7 mediates CDK9 degradation via the proteasome[1].
CAS Number
2935587-90-7
UNSPSC
12352005
Target
CDK; PROTACs
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PROTAC
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-cdk9-degrader-7.html
Concentration
10mM
Purity
99.62
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NCCCCCCCCCCCC(N1CCC(CC1)NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)=O)COC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O
Molecular Formula
C43H50Cl2N8O9
Molecular Weight
893.81
References & Citations
[1]Tokarski RJ 2nd, et al. Bifunctional degraders of cyclin dependent kinase 9 (CDK9) : Probing the relationship between linker length, properties, and selective protein degradation. Eur J Med Chem. 2023 Jun 5;254:115342.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PROTAC CDK9 degrader-7
CAS Number2935587-90-7
PubChem CID168355536
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-[12-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]dodecanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
Molecular FormulaC43H50Cl2N8O9
Molecular Weight893.8
XLogP6
Topological Polar Surface Area229
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Heavy Atom Count62
Formal Charge0
Complexity1620
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCCCCCCCCC(=O)N4CCC(CC4)NC(=O)C5=C(C=NN5)NC(=O)C6=C(C=CC=C6Cl)Cl
InChI
InChI=1S/C43H50Cl2N8O9/c44-28-13-11-14-29(45)37(28)40(58)49-30-24-47-51-38(30)41(59)48-26-19-22-52(23-20-26)35(56)16-8-6-4-2-1-3-5-7-9-21-46-34(55)25-62-32-15-10-12-27-36(32)43(61)53(42(27)60)31-17-18-33(54)50-39(31)57/h10-15,24,26,31H,1-9,16-23,25H2,(H,46,55)(H,47,51)(H,48,59)(H,49,58)(H,50,54,57)
InChIKey
VOTFYHWCGUFSOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC CDK9 degrader-7
CAS: 2935587-90-7
CID: 168355536
Formula: C43H50Cl2N8O9
MW: 893.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight893.8
XLogP36
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Exact Mass892.3077806
Monoisotopic Mass892.3077806
Topological Polar Surface Area229 Ų
Heavy Atom Count62
Formal Charge0
Complexity1620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes
PROTAC CDK9 degrader-7 | 0804-HY-149964-01 | Gentaur