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PROTAC CDK2/4 Degrader-1

CAT: 0804-HY-179688Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-179688Size:1 Each
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Description
PROTAC CDK2/4 Degrader-1 (Compound 5) is a CDK2/4 PROTAC degrader, with its DC50 values for CDK2 and CDK4 both ≤ 10 nM. PROTAC CDK2/4 Degrader-1 exhibits excellent inhibitory activity against cell proliferation in OVCAR3 and T47D cells. PROTAC CDK2/4 Degrader-1 can be used for research on breast cancer and ovarian cancer. (Pink: CDK2/4 ligand ; Blue: CRBN ligand (HY-W593794) ; Black: linker).
CAS Number
3108138-84-4
UNSPSC
12352005
Target
CDK; PROTACs
Related Pathways
Cell Cycle/DNA Damage; PROTAC
Field of Research
Cancer
Smiles
O=S(CCCN(CC1)CCC1C(C=C2)=CC3=C2C(C(CC4)C(NC4=O)=O)=NN3C)(N5CCC(NC6=NC=C(OC(F)F)C=N6)CC5)=O
Molecular Formula
C31H40F2N8O5S
Molecular Weight
674.76
References & Citations
[1]Zhiyong Yu, et al. Bifunctional compounds containing 2,5-substituted pyrimidine derivatives for degrading cyclin-dependent kinase 2 and/or cyclin-dependent kinase 4 via ubiquitin proteasome pathway. WO2025240536.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK2; CDK4; Cereblon

Chemical Information

3-[6-[1-[3-[4-[[5-(Difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CAS Number3108138-84-4
PubChem CID178421223
IUPAC Name3-[6-[1-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
Molecular FormulaC31H40F2N8O5S
Molecular Weight674.8
XLogP2.7
Topological Polar Surface Area160
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count47
Formal Charge0
Complexity1170
SMILES
CN1C2=C(C=CC(=C2)C3CCN(CC3)CCCS(=O)(=O)N4CCC(CC4)NC5=NC=C(C=N5)OC(F)F)C(=N1)C6CCC(=O)NC6=O
InChI
InChI=1S/C31H40F2N8O5S/c1-39-26-17-21(3-4-24(26)28(38-39)25-5-6-27(42)37-29(25)43)20-7-12-40(13-8-20)11-2-16-47(44,45)41-14-9-22(10-15-41)36-31-34-18-23(19-35-31)46-30(32)33/h3-4,17-20,22,25,30H,2,5-16H2,1H3,(H,34,35,36)(H,37,42,43)
InChIKey
QZYYXZIHOFCUDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[6-[1-[3-[4-[[5-(Difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CAS: 3108138-84-4
CID: 178421223
Formula: C31H40F2N8O5S
MW: 674.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight674.8
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass674.28104390
Monoisotopic Mass674.28104390
Topological Polar Surface Area160 Ų
Heavy Atom Count47
Formal Charge0
Complexity1170
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