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Disuprazole

CAT: 0013-GTR19241776-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241776-02Size:50 mg
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Description
Disuprazole is a 4-ethylthio-3-methylpyridine-based proton pump inhibitor (PPI) that suppresses gastric acid secretion. It is used in biochemical research to study gastric physiology and the mechanisms of acid inhibition in both in vitro and in vivo experimental models.
CAS Number
99499-40-8
Smiles
O=S (C1=NC=2C=CC=CC2N1) CC3=NC=CC (SCC) =C3C
Molecular Formula
C16H17N3OS2
Molecular Weight
331.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Disuprazole

Disuprazole is a 4-ethylthio-3-methylpyridine analogue of omeprazole with no substituent on the benzimidazole ring, with selective and irreversible proton pump inhibitor activity. Once converted to its active sulfenamide form, disuprazole forms a stable disulfide bond with the sulfhydryl group of the hydrogen-potassium (H+/K+) ATPase found on the secretory surface of parietal cells, thereby inhibiting the final transport of hydrogen ions (via exchange with potassium ions) into the gastric lumen and suppressing gastric acid secretion.

CAS Number99499-40-8
PubChem CID65861
IUPAC Name2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Molecular FormulaC16H17N3OS2
Molecular Weight331.5
XLogP2.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity396
SMILES
CCSC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2)C
InChI
InChI=1S/C16H17N3OS2/c1-3-21-15-8-9-17-14(11(15)2)10-22(20)16-18-12-6-4-5-7-13(12)19-16/h4-9H,3,10H2,1-2H3,(H,18,19)
InChIKey
YWQUFKJVMWHDSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Disuprazole
CAS: 99499-40-8
CID: 65861
Formula: C16H17N3OS2
MW: 331.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass331.08130452
Monoisotopic Mass331.08130452
Topological Polar Surface Area103 Ų
Heavy Atom Count22
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202756-01Disuprazole

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