117976-91-7

Basic information

• Product Name: Desmethyl rabeprazole thioether
• Synonyms: Desmethyl rabeprazole thioether;2-[[[4-(3-Hydroxypropoxy)-3-methyl-2-pyridyl]methyl]thio]-1H-benzimidazole;3-[[2-[(1H-Benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]-1-propanol;1-Propanol,3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]-;RaBeprazole Impurity 7;Demethyl-Rabeprazole Thioether
• CAS NO: 117976-91-7
• Molecular Formula: C17H19N3O2S
• Molecular Weight: 329.42
• Product Categories: Rabeprazole
• Mol File: 117976-91-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 572.5ºC at 760 mmHg
• Flash Point: 300.1ºC
• Appearance: /
• Density: 1.32
• Vapor Pressure: 6.01E-14mmHg at 25°C
• Refractive Index: 1.673
• PKA: 10.60±0.10(Predicted)
• CAS DataBase Reference: Desmethyl rabeprazole thioether(CAS DataBase Reference)
• NIST Chemistry Reference: Desmethyl rabeprazole thioether(117976-91-7)
• EPA Substance Registry System: Desmethyl rabeprazole thioether(117976-91-7)

Safety Data

• Hazardous Substances Data: 117976-91-7(Hazardous Substances Data)

Usage

General Description

Desmethyl rabeprazole thioether is a chemical compound that is derived from the drug rabeprazole, which is used to treat conditions such as gastroesophageal reflux disease (GERD) and stomach ulcers. The desmethyl rabeprazole thioether molecule is a metabolite of rabeprazole and is formed when rabeprazole is broken down in the body. It is a thioether, meaning it contains a sulfur atom bonded to two carbon atoms, and it is a derivative of the benzimidazole class of compounds. This molecule is important in understanding the pharmacokinetics and metabolism of rabeprazole, as well as in determining the potential effects and interactions of the drug in the body.

InChI:InChI=1/C17H19N3O2S/c1-12-15(18-8-7-16(12)22-10-4-9-21)11-23-17-19-13-5-2-3-6-14(13)20-17/h2-3,5-8,21H,4,9-11H2,1H3,(H,19,20)

Upstream product

• 134469-07-1 Benzimidazol-2-thiol 
• 117977-21-6 rabeprazole sulfide 

Relevant articles and documents

Amide-containing benzimidazole compound and application thereof (by machine translation)

The invention belongs to the technical field of medicines, and relates to 2 - [(pyridin -2 -ylmethyl) thio] - 111H-benzimidazole compounds as well as a preparation method and application. The general formula 2 - [(pyridin -2 -ylmethyl) thio] - 111H-benzimidazole compound and pharmaceutically acceptable salt are shown as follows: R1 , R2 The same or different, selected from hydrogen, C1 - C8 alkyl, C3 - C6 cycloalkyl, phenyl, halo substituted phenyl, C1 - C4 alkyl substituted phenyl, halo and C1 - C4 alkoxy at the same time substituted phenyl, halo substituted C1 C1 - C4 - C4 alkyl C1 - C4 substituted phenyl, benzyl, 4 - benzyloxyphenyl; or R1 , R2 A substituted or unsubstituted morpholinyl, phenylpiperazine or diphenylmethyl piperazine together with the nitrogen atom to which they are attached; the substituents are C1 - C4 alkoxy, C1 - C4 alkyl, halogen; R3 , R5 Self H, C1 - C4 alkyl. The compound is simple and convenient, is suitable for industrial production, and has obvious antitumor activity. (by machine translation)

Synthesizing method of single-configuration rabeprazole metabolite

The invention discloses a synthesizing method of a single-configuration rabeprazole metabolite.According to the method, rabeprazole thioether serves as a starting material, and the rabeprazole metabolite is synthesized through a five-step reaction.The optimal preparation steps and reaction conditions are screened out through a large number of experiments, the whole technological design is reasonable, and the operability is high.According to the obtained single-configuration rabeprazole metabolite, the chemical purity can reach 99% or above, and the chiral purity is larger than 99.5%.The obtained single-configuration rabeprazole metabolite provides a standard substance for metabolic mechanism research of a rabeprazole drug, can be used for exploring the metabolic process of the drug in organisms and has a great application research value in clinical pharmacokinetic research.