Tilmacoxib

Base Information

Chemical Name:Tilmacoxib
CAS No.:180200-68-4
Molecular Formula:C16H19 F N2 O3 S
Molecular Weight:338.403
Hs Code.:
UNII:G6VI5P84SX
DSSTox Substance ID:DTXSID0057671
Nikkaji Number:J906.656J
Wikipedia:Tilmacoxib
Wikidata:Q7802926
NCI Thesaurus Code:C76640
Pharos Ligand ID:9JMDKPQ88WYQ
Metabolomics Workbench ID:66210
ChEMBL ID:CHEMBL34913
Mol file:180200-68-4.mol

Synonyms:4-(4-cyclohexyl-2-methyloxazol-5-yl)-2-fluorobenzenesulfonamide;JTE 522;JTE-522

Suppliers and Price of Tilmacoxib

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

CSNpharm
JTE522
25mg
$ 3519.00

CSNpharm
JTE522
10mg
$ 1999.00

CSNpharm
JTE522
5mg
$ 1173.00

ChemScene
Tilmacoxib ≥99.0%
1mg
$ 800.00

Total 7 raw suppliers

Chemical Property of Tilmacoxib

Chemical Property:

Vapor Pressure:3.75E-10mmHg at 25°C
Boiling Point:500.6°Cat760mmHg
Flash Point:256.5°C
PSA：94.57000
Density:1.294g/cm³
LogP:5.26530
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:338.11004181
Heavy Atom Count:23
Complexity:504

Purity/Quality:

97% ^*data from raw suppliers

JTE522 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC(=C(O1)C2=CC(=C(C=C2)S(=O)(=O)N)F)C3CCCCC3

Technology Process of Tilmacoxib

There total 3 articles about Tilmacoxib 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: 82.0%

: 180200-79-7
5-(4-chlorosulfonyl-3-fluorophenyl)-4-cyclohexyl-2-methyloxazole

: 180200-68-4
tilmacoxib

Guidance literature:: With ammonia; In water; ethyl acetate; at -10 - 10 ℃; for 1h;

Reference yield:

: 180200-78-6
4-cyclohexyl-5-(3-fluorophenyl)-2-methyloxazole

: 180200-68-4
tilmacoxib

Guidance literature:: Multi-step reaction with 2 steps

1: ClSO₃H / CHCl₃ / 3 h / Heating

2: 5.74 g / 28percent aq. NH₃ / tetrahydrofuran / 1 h / 20 °C

With chlorosulfonic acid; In tetrahydrofuran; chloroform;
DOI:10.1021/jm010484p