5134-62-3 Usage
Description
1-(TOLUENE-4-SULFONYL)-PIPERIDINE-3-CARBOXYLIC ACID is an organic compound with the molecular formula C12H13NO4S. It is a derivative of piperidine-carboxylic acid, featuring a toluene-4-sulfonyl group attached to the piperidine ring. 1-(TOLUENE-4-SULFONYL)-PIPERIDINE-3-CARBOXYLIC ACID is known for its reactivity and utility in various chemical synthesis processes.
Uses
1. Used in Chemical Synthesis:
1-(TOLUENE-4-SULFONYL)-PIPERIDINE-3-CARBOXYLIC ACID is used as a reactant for the synthesis of terminal and substituted alkynes via decarboxylative alkynylation. Its unique structure allows for the formation of these alkynes, which are important building blocks in the creation of various organic compounds and materials.
2. Used in Pharmaceutical Industry:
In the pharmaceutical industry, 1-(TOLUENE-4-SULFONYL)-PIPERIDINE-3-CARBOXYLIC ACID may be utilized as a key intermediate in the development of new drugs, particularly those targeting the central nervous system. Its structural properties make it a promising candidate for the synthesis of novel therapeutic agents.
3. Used in Material Science:
1-(TOLUENE-4-SULFONYL)-PIPERIDINE-3-CARBOXYLIC ACID may also find applications in material science, where it could be used to develop new materials with specific properties, such as improved conductivity or enhanced stability. Its unique chemical structure allows for the potential creation of novel materials with tailored characteristics.
4. Used in Research and Development:
1-(TOLUENE-4-SULFONYL)-PIPERIDINE-3-CARBOXYLIC ACID is a valuable compound for researchers in the field of organic chemistry, as it can be used to explore new reaction pathways and develop innovative synthetic methods. Its reactivity and structural features make it an interesting subject for further study and potential applications in various industries.
Check Digit Verification of cas no
The CAS Registry Mumber 5134-62-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,3 and 4 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 5134-62:
(6*5)+(5*1)+(4*3)+(3*4)+(2*6)+(1*2)=73
73 % 10 = 3
So 5134-62-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H17NO4S/c1-10-4-6-12(7-5-10)19(17,18)14-8-2-3-11(9-14)13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H,15,16)/p-1/t11-/m1/s1
5134-62-3Relevant articles and documents
Synthesis, characterization, in silico and in vitro evaluations of symmetrical 1,3-Diketones
Porchezhiyan,Kalaivani,Shobana,Noorjahan
, p. 853 - 864 (2020/03/24)
1,3-Dicarbonyl compounds have gained significant importance since they are abundantly available in the natural products and possess myriad biological activities. The new symmetrical 1,3-diketones bearing L-proline, 2-methyl-5-iodobenzoic acid, piperidine-3-carboxylic acid and naphthalene-1-acetic acid moieties were synthesized by coupling reaction of appropriate ketone with N-acyl triazole in the presence of MgBr2·Et2O and DIPEA. The chemical structure of the compounds were confirmed from the spectral data such as 1H, 13C NMR, FT-IR and HRMS. Molecular docking studies were carried out for all the compounds with tumor associated protein tyrosine kinase-6 (PTK6) and inflammatory protein cyclooxygenase-2 (COX2). The in vitro evaluation was carried out using breast cancer cell lines (MTT assay) and HRBC stabilization assays. During in silico studies, the ki values obtained against PTK6 and COX2 for (5a-d) compounds were in the range (-7.5 to -10.6) and (-7.6 to -9.8) kcal/mol, respectively. The compound 5d was selected for MTT assay, since it exhibited the highest binding affinity (-10.6 kcal/mol) against PTK6 and gave IC50 - 2.4 μg/mL against breast cancer cell lines. The HRBC stabilization of all the compounds (5a-5d) were in the range (59.28-93.4) %, with highest stabilization value by 5d, which also displayed higher binding affinity with -7.6 kcal/mol towards COX2. Thus, the synthesized symmetrical 1,3-diketones with suitable functionality can be both anticancer and anti-inflammatory agents.
