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Chemical structure of (5Z,2E)-CU-3

GC60397

(5Z,2E)-CU-3

Also known as N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide

(5Z,2E)-CU-3 is a potent and selective inhibitor against the α-isozyme of DGK with an IC50 value of 0·6 μM, competitively inhibits the affinity of DGKα for ATP with a Km value of 0·48 mM· (5Z,2E)-CU-3 targets the catalytic region, but not the regulatory region of DGKα· (5Z,2E)-CU-3 has antitumoral and proimmunogenic effects, enhances the apoptosis of cancer cells and the activation of T cells

ChemicalCAS1815598-71-0MW392.47FormulaC16H12N2O4S3
CAS number
1815598-71-0
Molecular weight
392.47
Formula
C16H12N2O4S3
Solubility
DMSO: 20 mg/mL (50·96 mM; ultrasonic and warming and heat to 60°C); Water: < 0·1 mg/mL (insoluble)
InChIKey
YIUMXULORVBWLL-SPGDJUBISA-N
Catalogue number
GC60397
Brand
GLPBIO
Computed properties PubChem CID 6393804 · XLogP 3.6 · TPSA 145 Ų · H-bond donors 1
XLogP
3.6
TPSA
145 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
25

SMILES C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C=C/C3=CC=CO3)/SC2=S

Computed descriptors from PubChem (CID 6393804), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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