594839-14-2 Usage
Description
5-Chlorosulfonyl-nicotinic acid methyl ester, a member of the nicotinic acid ester family, is a chemical compound characterized by its molecular formula C8H7ClNO5S. It is a white to off-white crystalline powder that is sparingly soluble in water. Known for its strong irritant properties, this compound should be handled with caution. Its potential applications in medicine and agriculture stem from its role as a building block in the synthesis of various important compounds.
Uses
Used in Pharmaceutical Industry:
5-Chlorosulfonyl-nicotinic acid methyl ester is used as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs. Its unique chemical structure allows it to be a key component in the creation of therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 5-Chlorosulfonyl-nicotinic acid methyl ester is utilized as an intermediate in the synthesis of agrochemicals, playing a crucial role in the development of pesticides and other agricultural chemicals that enhance crop protection and productivity.
Used in Chemical Research:
5-Chlorosulfonyl-nicotinic acid methyl ester serves as a valuable compound in chemical research, where it can be employed to study the properties and reactions of sulfonyl and ester groups, contributing to the advancement of organic chemistry and the discovery of new chemical entities.
Check Digit Verification of cas no
The CAS Registry Mumber 594839-14-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,9,4,8,3 and 9 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 594839-14:
(8*5)+(7*9)+(6*4)+(5*8)+(4*3)+(3*9)+(2*1)+(1*4)=212
212 % 10 = 2
So 594839-14-2 is a valid CAS Registry Number.
594839-14-2Relevant articles and documents
3-(3,4-dihydroisoquinolin-2(1 H)-ylsulfonyl)benzoic acids: Highly potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehydrogenase AKR1C3
Jamieson, Stephen M. F.,Brooke, Darby G.,Heinrich, Daniel,Atwell, Graham J.,Silva, Shevan,Hamilton, Emma J.,Turnbull, Andrew P.,Rigoreau, Laurent J. M.,Trivier, Elisabeth,Soudy, Christelle,Samlal, Sharon S.,Owen, Paul J.,Schroeder, Ewald,Raynham, Tony,Flanagan, Jack U.,Denny, William A.
supporting information, p. 7746 - 7758 (2012/11/07)
A high-throughput screen identified 3-(3,4-dihydroisoquinolin-2(1H)- ylsulfonyl)benzoic acid as a novel, highly potent (low nM), and isoform-selective (1500-fold) inhibitor of aldo-keto reductase AKR1C3: a target of interest in both breast and prostate cancer. Crystal structure studies showed that the carboxylate group occupies the oxyanion hole in the enzyme, while the sulfonamide provides the correct twist to allow the dihydroisoquinoline to bind in an adjacent hydrophobic pocket. SAR studies around this lead showed that the positioning of the carboxylate was critical, although it could be substituted by acid isosteres and amides. Small substituents on the dihydroisoquinoline gave improvements in potency. A set of reverse sulfonamides showed a 12-fold preference for the R stereoisomer. The compounds showed good cellular potency, as measured by inhibition of AKR1C3 metabolism of a known dinitrobenzamide substrate, with a broad rank order between enzymic and cellular activity, but amide analogues were more effective than predicted by the cellular assay.
