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Chemical structure of MGAT2-IN-1

GC31362

MGAT2-IN-1

Also known as N-(4-chloro-2,6-difluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]-7-(2-oxopyrrolidin-1-yl)-2,3-dihydroindole-5-sulfonamide

MGAT2-IN-1 is an orally active inhibitor of monoacylglycerol acyltransferase (MGAT2) with IC50 of 7·8 and 2·4 nM for human and mouse MGAT2, respectively

ChemicalCAS1800025-30-2MW654.01FormulaC27H21ClF5N7O3S
CAS number
1800025-30-2
Molecular weight
654.01
Formula
C27H21ClF5N7O3S
Solubility
DMSO ： ≥ 125 mg/mL (191·13 mM)
InChIKey
VSZRYLHBOKTNBO-UHFFFAOYSA-N
Catalogue number
GC31362
Brand
GLPBIO
Computed properties PubChem CID 91885570 · XLogP 3.9 · TPSA 122 Ų · H-bond donors 1
XLogP
3.9
TPSA
122 Ų
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
44

SMILES CN1C(=CC(=N1)C(F)(F)F)C2=CN=C(N=C2)N3CCC4=C3C(=CC(=C4)S(=O)(=O)NC5=C(C=C(C=C5F)Cl)F)N6CCCC6=O

Computed descriptors from PubChem (CID 91885570), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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