S-diclofenac

Base Information

Chemical Name:S-diclofenac
CAS No.:912758-00-0
Molecular Formula:C₂₃H₁₅Cl₂NO₂S₃
Molecular Weight:504.482
Hs Code.:
DSSTox Substance ID:DTXSID701318005
Mol file:912758-00-0.mol

Synonyms:2-((2,6-dichlorophenyl)amino)benzeneacetic acid 4-(3H-1,2-dithiol-3-thione-5-yl)phenyl ester;S-diclofenac

Suppliers and Price of S-diclofenac

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Cayman Chemical
ATB-337 ≥98%
50mg
$ 1059.00

Cayman Chemical
ATB-337 ≥98%
5mg
$ 137.00

Cayman Chemical
ATB-337 ≥98%
1mg
$ 31.00

Cayman Chemical
ATB-337 ≥98%
10mg
$ 243.00

ApexBio Technology
ATB-337
5mg
$ 174.00

ApexBio Technology
ATB-337
50mg
$ 1359.00

ApexBio Technology
ATB-337
10mg
$ 311.00

AK Scientific
4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenylester-2-((2,6-dichlorophenyl)amino)-benzeneaceticacid
5mg
$ 270.00

Total 23 raw suppliers

Chemical Property of S-diclofenac

Chemical Property:

PSA：126.90000
LogP:8.47760
Solubility.:≤10mg/ml in DMSO;10mg/ml in dimethyl formamide
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:502.9641976
Heavy Atom Count:31
Complexity:674

Purity/Quality:

98% ^*data from raw suppliers

ATB-337 ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CC(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3)NC4=C(C=CC=C4Cl)Cl
Uses Hydrogen sulfide (H2S) is a naturally occurring gasotransmitter with vasodilator and inflammatory modulating activity. Non-steroidal anti-inflammatory drugs (NSAIDs), such as indomethacin, diclofenac, and ibuprofen, are some of the most commonly used anti-inflammatory drugs available but exhibit significant side effects, particularly gastric damage, when used chronically. ATB-337 is a hybrid molecule of an H2S donor and the NSAID diclofenac. In rats, diclofenac at 10-50 μmol/kg caused significant gastrointestinal damage, whereas no damage was observed with ATB-337 treatment at the same dose. ATB-337 at 50 μmol/kg does not promote leukocyte adherence to vascular endothelium, an effect observed with diclofenac treatment alone. COX-1 and COX-2 were inhibited with similar efficacy by diclofenac and ABT-337. An increase in expression of the pro-inflammatory mediator TNF-α, as well as, the adhesion molecules ICAM-1 and LFA-1 were not observed in rats treated with 50 μmol/kg ABT-337, effects seen with equimolar doses of diclofenac. These results indicate that H2S-releasing derivatives of NSAIDs may prove to be more effective anti-inflammatory agents than traditional NSAIDs alone.[Cayman Chemical]

Technology Process of S-diclofenac

There total 4 articles about S-diclofenac which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.6%

: 912758-00-0
2-[(2,6-dichlorophenyl)amino]benzeneacetic acid 4-(3H-1,2-dithiole-3-thione-5-yl)phenyl ester

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 74.0%

: 18274-81-2
desmethyl anethole trithione

: 912758-00-0
2-[(2,6-dichlorophenyl)amino]benzeneacetic acid 4-(3H-1,2-dithiole-3-thione-5-yl)phenyl ester

Guidance literature:: [2-(2,6-dichloroanilino)phenyl]acetic acid; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

desmethyl anethole trithione; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 4h;