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ChemicalBook--->CAS DataBase List--->172152-36-2

172152-36-2

172152-36-2 Structure

172152-36-2 Structure
IdentificationBack Directory
[Name]

2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3H-benzoimidazole
[CAS]

172152-36-2
[Synonyms]

IY 81149
Ilaprazole(IY 81149)
Ilaprazole USP/EP/BP
IY81149; IY-81149; IY 81149
2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole
2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3H-benzoimidazole
2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]5-(1H-pyrrol-1-yl) 1H benzimidazole
2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole
1H-BenziMidazole,2-[[(4-Methoxy-3-Methyl-2-pyridinyl)Methyl]sulfinyl]-6-(1H-pyrrol-1-yl)-
2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3H-benzoimidazole USP/EP/BP
[EINECS(EC#)]

1308068-626-2
[Molecular Formula]

C19H18N4O2S
[MDL Number]

MFCD00942538
[MOL File]

172152-36-2.mol
[Molecular Weight]

366.44
Chemical PropertiesBack Directory
[Boiling point ]

651.0±65.0 °C(Predicted)
[density ]

1.39
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

DMF: 10mg/mL; DMSO: 15mg/mL; DMSO:PBS (pH 7.2) (1:7): 0.12mg/mL; Ethanol: 0.3mg/mL
[form ]

A solid
[pka]

8.23±0.10(Predicted)
[color ]

Off-white to gray
[InChI]

InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)
[InChIKey]

HRRXCXABAPSOCP-UHFFFAOYSA-N
[SMILES]

C1(S(CC2=NC=CC(OC)=C2C)=O)NC2=CC(N3C=CC=C3)=CC=C2N=1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Description]

Ilaprazole is a substituted benzimidazole prodrug with selective and irreversible proton pump inhibitor activity. A weak base, ilaprazole accumulates in the acidic environment of the secretory canaliculus of the gastric parietal cell where it is converted to an active sulfenamide form that binds to cysteine sulfhydryl groups on the luminal aspect of the proton pump hydrogen-potassium adenosine triphosphatase (H+/K+ ATPase), thereby inhibiting the pump's activity and the parietal cell secretion of H+ ions into the gastric lumen, the final step in gastric acid production.
[Uses]

Ilaprazole is a proton pump inhibitor (PPI) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and duodenal ulcer.
[Definition]

ChEBI: Ilaprazole is a sulfoxide and a member of benzimidazoles.
Spectrum DetailBack Directory
[Spectrum Detail]

Ilaprazole(172152-36-2)1HNMR
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