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Chemical structure of DGAT1-IN-1

GC35851

DGAT1-IN-1

Also known as 2-[4-[4-[2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

DGAT1-IN-1 is a potent DGAT1 inhibitor with IC50 of ＜ 10 nM(cell lysate from Hep3B cells overexpressing human DGAT1)

ChemicalCAS1449779-49-0MW551.56FormulaC30H28F3N3O4
CAS number
1449779-49-0
Molecular weight
551.56
Formula
C30H28F3N3O4
Solubility
DMSO： 20 mg/mL (36·26 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
KFGSQOIWOCDWAS-UHFFFAOYSA-N
Catalogue number
GC35851
Brand
GLPBIO
Computed properties PubChem CID 71696573 · XLogP 7.4 · TPSA 92.9 Ų · H-bond donors 2
XLogP
7.4
TPSA
92.9 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
40

SMILES C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=CN4C=C(N=C4C=C3)C(=O)NCC5=CC=C(C=C5)OC(F)(F)F

Computed descriptors from PubChem (CID 71696573), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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