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Chemical structure of (R)-Tegoprazan

GC69839

(R)-Tegoprazan

Also known as 7-[[(4R)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide

(R)-Tegoprazan ((R)-CJ-12420; example 3) is a benzimidazole derivative and an effective inhibitor of gastric H+/K+-ATPase· Its IC50 for canine kidney Na+/K+-ATPase is 98 nM· (R)-Tegoprazan has potential in the research of gastrointestinal diseases

ChemicalCAS942195-56-4MW387.38FormulaC20H19F2N3O3
CAS number
942195-56-4
Molecular weight
387.38
Formula
C20H19F2N3O3
Solubility
DMSO ： 50 mg/mL (129·07 mM; Need ultrasonic)
InChIKey
CLIQCDHNPDMGSL-OAHLLOKOSA-N
Catalogue number
GC69839
Brand
GLPBIO
Computed properties PubChem CID 58900204 · XLogP 3.2 · TPSA 67.5 Ų · H-bond donors 1
XLogP
3.2
TPSA
67.5 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28

SMILES CC1=NC2=C(N1)C=C(C=C2O[C@@H]3CCOC4=C3C(=CC(=C4)F)F)C(=O)N(C)C

Computed descriptors from PubChem (CID 58900204), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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