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CPD-39

CAT: 0013-GTR19240371-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240371-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CPD-39 is a potent, orally bioavailable PROTAC molecule that simultaneously degrades CCND1 and CDK4. It demonstrates robust antiproliferative activity in cellular assays and has shown efficacy in in vivo tumor models, making it a valuable chemical probe for oncology research targeting cell cycle dependencies.
CAS Number
3055472-38-0
Field of Research
Cell Biology, Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (NC1=NN=C (C=C1) N (C) C) C2=CC=C (N=C2NC3CC4 (CC (NC (=O) CN5CCN (C6=CN=C (C=C6) NC=7N=CC8=C (N7) N (C (=O) C (C (=O) C) =C8C) C9CCCC9) CC5) C4) C3) NC
Molecular Formula
C46H57N15O4
Molecular Weight
884.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]acetyl]amino]spiro[3.3]heptan-6-yl]amino]-N-[6-(dimethylamino)pyridazin-3-yl]-6-(methylamino)pyridine-3-carboxamide
CAS Number3055472-38-0
PubChem CID176419266
IUPAC Name2-[[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]acetyl]amino]spiro[3.3]heptan-6-yl]amino]-N-[6-(dimethylamino)pyridazin-3-yl]-6-(methylamino)pyridine-3-carboxamide
Molecular FormulaC46H57N15O4
Molecular Weight884.0
XLogP4.2
Topological Polar Surface Area219
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Heavy Atom Count65
Formal Charge0
Complexity1740
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)CC(=O)NC5CC6(C5)CC(C6)NC7=C(C=CC(=N7)NC)C(=O)NC8=NN=C(C=C8)N(C)C)C9CCCC9)C(=O)C
InChI
InChI=1S/C46H57N15O4/c1-27-34-25-49-45(55-42(34)61(31-8-6-7-9-31)44(65)40(27)28(2)62)54-36-12-10-32(24-48-36)60-18-16-59(17-19-60)26-39(63)50-29-20-46(21-29)22-30(23-46)51-41-33(11-13-35(47-3)52-41)43(64)53-37-14-15-38(57-56-37)58(4)5/h10-15,24-25,29-31H,6-9,16-23,26H2,1-5H3,(H,50,63)(H2,47,51,52)(H,53,56,64)(H,48,49,54,55)
InChIKey
ZVHGFCVLCZHERI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]acetyl]amino]spiro[3.3]heptan-6-yl]amino]-N-[6-(dimethylamino)pyridazin-3-yl]-6-(methylamino)pyridine-3-carboxamide
CAS: 3055472-38-0
CID: 176419266
Formula: C46H57N15O4
MW: 884.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight884.0
XLogP34.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Exact Mass883.47179536
Monoisotopic Mass883.47179536
Topological Polar Surface Area219 Ų
Heavy Atom Count65
Formal Charge0
Complexity1740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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