1147350-75-1

Basic information

• Product Name: (2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate
• Synonyms: (2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate;Clopidogrel thiolactone
• CAS NO: 1147350-75-1
• Molecular Formula: C₁₆H₁₆ClNO₃S
• Molecular Weight: 337.82114
• Mol File: 1147350-75-1.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 488.1±45.0 °C(Predicted)
• Appearance: /
• Density: 1.39±0.1 g/cm3(Predicted)
• PKA: 3.41±0.20(Predicted)
• CAS DataBase Reference: (2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate(CAS DataBase Reference)
• NIST Chemistry Reference: (2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate(1147350-75-1)
• EPA Substance Registry System: (2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate(1147350-75-1)

Safety Data

• Hazardous Substances Data: 1147350-75-1(Hazardous Substances Data)

Usage

Description

(2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate, also known as Methyl (αS)-α-(2-chlorophenyl)-2,6,7,7a-tetrahydro-2-oxothieno[3,2-c]pyridine-5(4H)-acetate, is a complex organic compound with a unique chemical structure. It is characterized by its chiral center at the 2nd carbon, which is in the S configuration, and its molecular structure includes a 2-chlorophenyl group, a thieno[3,2-c]pyridine ring, and an acetate group. (2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate is an essential intermediate metabolite in the formation of the active metabolite of Clopidogel, a drug used in the treatment of various medical conditions.

Uses

Used in Pharmaceutical Industry:
(2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate is used as an intermediate metabolite for the synthesis of the active metabolite of Clopidogel. Its role in the pharmaceutical industry is crucial, as it contributes to the development of drugs that can be used in the treatment of various medical conditions.
Used in Drug Development:
(2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate is also used in drug development, particularly in the synthesis of new drugs with potential therapeutic applications. Its unique chemical structure and properties make it a valuable starting point for the design and development of novel pharmaceutical agents.

Upstream product

• 109904-37-2 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine-2(4H)-one monohydrochloride 
• 115473-15-9 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride 
• 32345-59-8 methyl (R)-2-chloromandelate 
• 10421-85-9 (R)-2-chloromandelic acid 
• 113665-84-2 (S)-(+)-clopidogrel 

Downstream Products

• 1147350-77-3 cis-5-thiol metabolite 
• 1314097-37-4 methyl (S,E)-2-(2-chlorophenyl)-2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate monohydrochloride 
• 767612-34-0 R-361015 

Relevant articles and documents

THIENOPYRIDINE DERIVATIVES CONTAINING UNSATURATED ALIPHATIC OLEFINIC BOND, PREPARATION METHOD AND USE THEREOF

The present invention provides a compound having a structure of formula (I), a preparation method and use thereof, and a pharmaceutical composition containing the compound, wherein R is methyl, ethyl, propyl, vinyl or propenyl. The present invention also

Synthesis of Biologically Active Piperidine Metabolites of Clopidogrel: Determination of Structure and Analyte Development

Clopidogrel is a prodrug anticoagulant with active metabolites that irreversibly inhibit the platelet surface GPCR P2Y12 and thus inhibit platelet activation. However, gaining an understanding of patient response has been limited due to imprecise understanding of metabolite activity and stereochemistry, and a lack of acceptable analytes for quantifying in vivo metabolite formation. Methods for the production of all bioactive metabolites of clopidogrel, their stereochemical assignment, and the development of stable analytes via three conceptually orthogonal routes are disclosed. (Chemical Equation Presented).

OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF

Optically active 2-hydroxytetrahydrothienopyridine derivatives represented by Formula I and pharmaceutically acceptable salts, preparation method and use in the manufacture of a medicament thereof are disclosed. The pharmacodynamic experiment results show that the present compounds of Formula I are useful for inhibiting platelet aggregation. The pharmacokinetic experiment results show that the present compound of Formula I can be converted in vivo into pharmacologically active metabolites and are therefore useful for inhibiting platelet aggregation. Therefore, the present compounds are useful for the manufacture of a medicament for preventing or treating thrombosis and embolism related diseases.