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PROTAC CDK9 degrader-6

CAT: 0804-HY-149963Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-149963Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC CDK9 degrader-6 is a PROTAC targeting to CDK9 sepcifically. PROTAC CDK9 degrader-6 mediates CDK9 degradation via the proteasome. PROTAC CDK9 degrader-6 degrades CDK9 with DC50s of 0.10 μM and 0.14 μM for the CDK942 and CDK955 isoforms, respectively[1].
CAS Number
2935587-91-8
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-6.html
Solubility
10 mM in DMSO
Smiles
O=C(NCCCCCCCCCCC(N1CCC(CC1)NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)=O)CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O
Molecular Formula
C42H49Cl2N9O8
Molecular Weight
878.80
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
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK9

Chemical Information

PROTAC CDK9 degrader-6
CAS Number2935587-91-8
PubChem CID168355535
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-[11-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]undecanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
Molecular FormulaC42H49Cl2N9O8
Molecular Weight878.8
XLogP6
Topological Polar Surface Area232
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count61
Formal Charge0
Complexity1610
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCC(=O)NCCCCCCCCCCC(=O)N4CCC(CC4)NC(=O)C5=C(C=NN5)NC(=O)C6=C(C=CC=C6Cl)Cl
InChI
InChI=1S/C42H49Cl2N9O8/c43-27-12-10-13-28(44)36(27)39(58)49-30-23-47-51-37(30)40(59)48-25-18-21-52(22-19-25)34(56)15-7-5-3-1-2-4-6-8-20-45-33(55)24-46-29-14-9-11-26-35(29)42(61)53(41(26)60)31-16-17-32(54)50-38(31)57/h9-14,23,25,31,46H,1-8,15-22,24H2,(H,45,55)(H,47,51)(H,48,59)(H,49,58)(H,50,54,57)
InChIKey
SRUVBNFPTDBESG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC CDK9 degrader-6
CAS: 2935587-91-8
CID: 168355535
Formula: C42H49Cl2N9O8
MW: 878.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight878.8
XLogP36
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass877.3081149
Monoisotopic Mass877.3081149
Topological Polar Surface Area232 Ų
Heavy Atom Count61
Formal Charge0
Complexity1610
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

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