1217740-06-1 Usage
Description
(S)-2-Benzoylthiobutyric Acid is a chiral compound characterized by its specific stereochemistry, with the S-configuration. It is a colorless oil, indicating that it is a liquid at room temperature and has a relatively low melting point. This organic compound is known for its potential applications in the pharmaceutical industry, particularly in the synthesis of therapeutic agents.
Uses
Used in Pharmaceutical Industry:
(S)-2-Benzoylthiobutyric Acid is used as a key intermediate in the synthesis of oxoand thiadiazaspirodecanones. These compounds have demonstrated potential therapeutic effects in the treatment of central and peripheral nervous system disorders. The chiral nature of (S)-2-Benzoylthiobutyric Acid plays a crucial role in the development of these pharmaceutical agents, as the stereochemistry can significantly influence the biological activity and efficacy of the final product.
Check Digit Verification of cas no
The CAS Registry Mumber 1217740-06-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,1,7,7,4 and 0 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1217740-06:
(9*1)+(8*2)+(7*1)+(6*7)+(5*7)+(4*4)+(3*0)+(2*0)+(1*6)=131
131 % 10 = 1
So 1217740-06-1 is a valid CAS Registry Number.
1217740-06-1Relevant articles and documents
Asymmetric synthesis of the four diastereoisomers of a novel non-steroidal farnesoid X receptor (FXR) agonist: Role of the chirality on the biological activity
Marinozzi, Maura,Carotti, Andrea,Sardella, Roccaldo,Buonerba, Federica,Ianni, Federica,Natalini, Benedetto,Passeri, Daniela,Rizzo, Giovanni,Pellicciari, Roberto
supporting information, p. 3780 - 3789 (2013/07/19)
An asymmetric synthetic strategy was designed for the preparation of the four possible diastereoisomers of 3,6-dimethyl-1-(2-methylphenyl)-4-(4- phenoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one, a non-steroidal FXR agonist, we recently discovered following a virtual screening approach. The results obtained from an AlphaScreen assay clearly demonstrated that only the isomer endowed with 4R,6S absolute configuration is responsible for the biological activity. A deep investigation of the different putative binding modes adopted by these enantiomerically pure ligands using computational modeling studies confirmed the enantioselectivity of FXR towards this class of molecules.
