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Chemical structure of CPS2

GC68898

CPS2

Also known as 4-[[5-amino-1-(3-methylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]benzenesulfonamide

CPS2 is a highly efficient, selective, and irreversible PROTAC CDK2 degrader (IC50= 24 nM)· CPS2 can be used for research on acute myeloid leukemia

ChemicalCAS2756741-90-7MW890.94FormulaC38H42N12O10S2
CAS number
2756741-90-7
Molecular weight
890.94
Formula
C38H42N12O10S2
Solubility
DMSO ： 32·5 mg/mL (36·48 mM; Need ultrasonic)
InChIKey
BXCPYBFBMAWDDY-UHFFFAOYSA-N
Catalogue number
GC68898
Brand
GLPBIO
Computed properties PubChem CID 155294157 · XLogP 2.2 · TPSA 323 Ų · H-bond donors 5
XLogP
2.2
TPSA
323 Ų
H-bond donors
5
H-bond acceptors
19
Rotatable bonds
21
Heavy atoms
62

SMILES CC1=C(SC=C1)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NCCOCC4=CN(N=N4)CCOCCOCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)N

Computed descriptors from PubChem (CID 155294157), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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