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PROTAC CDK9 degrader-11

CAT: 0804-HY-170978Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-170978Size: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-11 (Compound C3) is an orally active PROTAC degrader for CDK9 with DC50 of 1.09 nM. PROTAC CDK9 degrader-11 exhibits cytotoxicity in multi small cell lung cancer cell with IC50 of nanomolar levels. PROTAC CDK9 degrader-11 arrests cell cycle at G0/G1 phase, inhibits the cell invasion in DMS114 and DMS53 cell. PROTAC CDK9 degrader-11 exhibits antitumor efficacy in NCI-H446 xenograft mouse models[1]. (Pink: ligand for target protein CDK9 ligand 3 ; Black: linker; Blue: ligand for E3 ligase Cereblon E3 ligase Ligand 56 (HY-W247437) )
CAS Number
3039540-19-4
UNSPSC
12352005
Target
CDK; PROTACs
Related Pathways
Cell Cycle/DNA Damage; PROTAC
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Smiles
O=C(NC1=CNN=C1C(NC2CCN(CC2)C(CN3CCC(CC3)CN4CCN(CC4)C5=CC(NC6C(NC(CC6)=O)=O)=CC=C5)=O)=O)C7=C(C=CC=C7Cl)Cl
Molecular Formula
C39H48Cl2N10O5
Molecular Weight
807.77
References & Citations
[1]Wang Y, et al., Identification of a Potent and Selective CDK9 Degrader as a Targeted Therapeutic Option for the Treatment of Small-Cell Lung Cancer. J Med Chem. 2025 Feb 13;68 (3) :2528-2550.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PROTAC CDK9 degrader-11
CAS Number3039540-19-4
PubChem CID172879833
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-[4-[[4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
Molecular FormulaC39H48Cl2N10O5
Molecular Weight807.8
XLogP4.2
Topological Polar Surface Area175
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count56
Formal Charge0
Complexity1380
SMILES
C1CC(=O)NC(=O)C1NC2=CC(=CC=C2)N3CCN(CC3)CC4CCN(CC4)CC(=O)N5CCC(CC5)NC(=O)C6=C(C=NN6)NC(=O)C7=C(C=CC=C7Cl)Cl
InChI
InChI=1S/C39H48Cl2N10O5/c40-29-5-2-6-30(41)35(29)38(55)45-32-22-42-47-36(32)39(56)44-26-11-15-51(16-12-26)34(53)24-48-13-9-25(10-14-48)23-49-17-19-50(20-18-49)28-4-1-3-27(21-28)43-31-7-8-33(52)46-37(31)54/h1-6,21-22,25-26,31,43H,7-20,23-24H2,(H,42,47)(H,44,56)(H,45,55)(H,46,52,54)
InChIKey
RKEBQEQMPKZBRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC CDK9 degrader-11
CAS: 3039540-19-4
CID: 172879833
Formula: C39H48Cl2N10O5
MW: 807.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight807.8
XLogP34.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass806.3186201
Monoisotopic Mass806.3186201
Topological Polar Surface Area175 Ų
Heavy Atom Count56
Formal Charge0
Complexity1380
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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T205652-01PROTAC CDK9 degrader-11
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MBS5820589PROTAC CDK9 degrader-8
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MBS5758225PROTAC CDK9 Degrader-1
MBS5816789PROTAC CDK9 degrader-7
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T39996-01PROTAC CDK9 degrader 4
T74851-01PROTAC CDK9 degrader-5

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