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CP5V

CAT: 0013-GTR19229793-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229793-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CP5V is a PROTAC molecule that selectively targets Cdc20 for VHL-mediated ubiquitination and proteasomal degradation. This action induces mitotic arrest and inhibits cancer cell proliferation, making it a useful chemical probe for studying cell cycle mechanisms and oncology research in vitro.
CAS Number
2509359-75-3
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
99.95% (May vary between batches)
Smiles
C ([C@@H] (NC (CCOCCOCCOCCOCCOCCC (NCCCOC (NC (NC=1N=CC=CN1) C (Cl) (Cl) Cl) =O) =O) =O) [C@] (C) (C) C) (=O) N2[C@H] (C (NCC3=CC=C (C=C3) C4=C (C) N=CS4) =O) C[C@@H] (O) C2
Molecular Formula
C46H66Cl3N9O12S
Molecular Weight
1075.50
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(1-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-3,6,9,12,15-pentaoxaoctadecan-18-amido)propyl N-{2,2,2-trichloro-1-[(pyrimidin-2-yl)amino]ethyl}carbamate
CAS Number2509359-75-3
PubChem CID139600343
IUPAC Name3-[3-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
Molecular FormulaC46H66Cl3N9O12S
Molecular Weight1075.5
XLogP3.7
Topological Polar Surface Area291
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count33
Heavy Atom Count71
Formal Charge0
Complexity1590
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCOC(=O)NC(C(Cl)(Cl)Cl)NC4=NC=CC=N4)O
InChI
InChI=1S/C46H66Cl3N9O12S/c1-31-38(71-30-54-31)33-9-7-32(8-10-33)28-53-40(62)35-27-34(59)29-58(35)41(63)39(45(2,3)4)55-37(61)12-18-66-20-22-68-24-26-69-25-23-67-21-19-65-17-11-36(60)50-15-6-16-70-44(64)57-42(46(47,48)49)56-43-51-13-5-14-52-43/h5,7-10,13-14,30,34-35,39,42,59H,6,11-12,15-29H2,1-4H3,(H,50,60)(H,53,62)(H,55,61)(H,57,64)(H,51,52,56)/t34-,35+,39-,42?/m1/s1
InChIKey
BQQILUVLGKHSNJ-NWRQRLFSSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-3,6,9,12,15-pentaoxaoctadecan-18-amido)propyl N-{2,2,2-trichloro-1-[(pyrimidin-2-yl)amino]ethyl}carbamate
CAS: 2509359-75-3
CID: 139600343
Formula: C46H66Cl3N9O12S
MW: 1075.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1075.5
XLogP33.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count33
Exact Mass1073.361723
Monoisotopic Mass1073.361723
Topological Polar Surface Area291 Ų
Heavy Atom Count71
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5766397CP5V

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