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Chemical structure of DGKα-IN-2

GC75611

DGKα-IN-2

Also known as 1-methyl-2-oxo-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]quinoline-3-carboxamide

DGKα-IN-2 (example 48) is a DGKα inhibitor with the IC50 of 0·9 nM, extracted from patent WO2021105115

ChemicalCAS2648556-92-5MW461.43FormulaC23H22F3N3O4
CAS number
2648556-92-5
Molecular weight
461.43
Formula
C23H22F3N3O4
Solubility
DMSO： 100 mg/mL (216·72 mM; ultrasonic and warming and heat to 60°C)
InChIKey
AETHHGASMIIOSO-UHFFFAOYSA-N
Catalogue number
GC75611
Brand
GLPBIO
Computed properties PubChem CID 156405796 · XLogP 4.4 · TPSA 85.1 Ų · H-bond donors 1
XLogP
4.4
TPSA
85.1 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

SMILES CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N)N3CCC(CC3)OC4=CC=C(C=C4)OC(F)(F)F

Computed descriptors from PubChem (CID 156405796), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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