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Chemical structure of Vipoglanstat

GC70119

Vipoglanstat

Also known as 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide

Vipoglanstat (BI 1029539), also known as formylamide, is an effective, selective, non-peptide small molecule inhibitor of microsomal prostaglandin E synthase-1 (mPGES-1) with oral activity· Vipoglanstat also has anti-inflammatory activity

ChemicalCAS1360622-01-0MW678.52FormulaC30H34Cl2F5N5O3
CAS number
1360622-01-0
Molecular weight
678.52
Formula
C30H34Cl2F5N5O3
Solubility
DMSO ： 150 mg/mL (221·07 mM; Need ultrasonic)
InChIKey
PFORUFFGGNOLPJ-UHFFFAOYSA-N
Catalogue number
GC70119
Brand
GLPBIO
Computed properties PubChem CID 56649447 · XLogP 7.8 · TPSA 97.3 Ų · H-bond donors 3
XLogP
7.8
TPSA
97.3 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
45

SMILES CC(C)(C)C(=O)NCC1=C(C(=C(C=C1)Cl)NC2=NC3=C(N2C)C=C(C(=C3)C(=O)NC4CCC(CC4)C(F)(F)F)OCC(F)F)Cl

Computed descriptors from PubChem (CID 56649447), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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