86408-44-8

Basic information

• Product Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
• Synonyms: 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, (2S,3S)-
• CAS NO: 86408-44-8
• Molecular Formula: C₁₉H₂₂N₂O₃S
• Molecular Weight: 358.4546
• Mol File: 86408-44-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 612°C at 760 mmHg
• Flash Point: 323.9°C
• Density: 1.239g/cm³
• Vapor Pressure: 7.8E-16mmHg at 25°C
• Refractive Index: 1.612
• CAS DataBase Reference: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one(86408-44-8)
• EPA Substance Registry System: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one(86408-44-8)

Safety Data

• Hazardous Substances Data: 86408-44-8(Hazardous Substances Data)

Usage

Description

(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is a complex organic compound with a unique molecular structure. It is a derivative of the benzothiazepin class of compounds, characterized by the presence of a benzene ring fused with a thiazine ring. The stereochemistry at positions 2 and 3 is important for its biological activity, with the (2S,3S) configuration indicating that both chiral centers have the S configuration. The molecule also features a hydroxyl group, a methoxyphenyl group, and a methylaminoethyl group, which may contribute to its potential pharmacological properties.

Uses

Used in Pharmaceutical Industry:
(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is used as a pharmaceutical agent for its potential therapeutic effects. As a derivative of Diltiazem Hydrochloride, a calcium channel blocker with vasodilating activity, this compound may exhibit similar properties and be utilized in the treatment of various cardiovascular conditions. Its specific configuration and functional groups may also contribute to its efficacy and selectivity in targeting specific receptors or pathways involved in these conditions.
Used in Cardiovascular Applications:
(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is used as an anti-anginal, anti-hypertensive, and anti-arrhythmic agent. Its vasodilating properties may help alleviate symptoms of angina by improving blood flow to the heart. As an anti-hypertensive, it may lower blood pressure by relaxing blood vessels, reducing the workload on the heart. Additionally, its anti-arrhythmic properties (class IV) suggest that it may help regulate abnormal heart rhythms, contributing to improved cardiovascular health.

Upstream product

• 27068-88-8 3c-hydroxy-2r-(4-methoxy-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one 
• 68767-11-3 benzyl (2-chloroethyl)methylcarbamate 

Relevant articles and documents

Synthesis of the metabolites and related compounds of diltiazem

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