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MedKoo Cat#: 596301 | Name: Tilmacoxib

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Tilmacoxib or JTE-522 is a COX-2 and Prostaglandin H synthase-2 inhibitor and is an effective chemopreventive agent against rat experimental liver fibrosis.

Chemical Structure

Tilmacoxib
CAS#180200-68-4

Theoretical Analysis

MedKoo Cat#: 596301

Name: Tilmacoxib

CAS#: 180200-68-4

Chemical Formula: C16H19FN2O3S

Exact Mass: 338.1100

Molecular Weight: 338.39

Elemental Analysis: C, 56.79; H, 5.66; F, 5.61; N, 8.28; O, 14.18; S, 9.47

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Tilmacoxib; JTP-19605; RWJ-57504; JTE-522;
IUPAC/Chemical Name
4-(4-cyclohexyl-2-methyloxazol-5-yl)-2-fluorobenzenesulfonamide
InChi Key
MIMJSJSRRDZIPW-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H19FN2O3S/c1-10-19-15(11-5-3-2-4-6-11)16(22-10)12-7-8-14(13(17)9-12)23(18,20)21/h7-9,11H,2-6H2,1H3,(H2,18,20,21)
SMILES Code
O=S(C1=CC=C(C2=C(C3CCCCC3)N=C(C)O2)C=C1F)(N)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 338.39 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Lee M, Yoo J, Kim JG, Kyung HS, Bin SI, Kang SB, Choi CH, Moon YW, Kim YM, Han SB, In Y, Choi CH, Kim J, Lee BK, Cho S. A Randomized, Multicenter, Phase III Trial to Evaluate the Efficacy and Safety of Polmacoxib Compared with Celecoxib and Placebo for Patients with Osteoarthritis. Clin Orthop Surg. 2017 Dec;9(4):439-457. doi: 10.4055/cios.2017.9.4.439. Epub 2017 Nov 10. PubMed PMID: 29201297; PubMed Central PMCID: PMC5705303. 2: Kim HT, Cha H, Hwang KY. Structural insight into the inhibition of carbonic anhydrase by the COX-2-selective inhibitor polmacoxib (CG100649). Biochem Biophys Res Commun. 2016 Sep 9;478(1):1-6. doi: 10.1016/j.bbrc.2016.07.114. Epub 2016 Jul 27. PubMed PMID: 27475498. 3: Chaudhary N, Aparoy P. Deciphering the mechanism behind the varied binding activities of COXIBs through Molecular Dynamic Simulations, MM-PBSA binding energy calculations and per-residue energy decomposition studies. J Biomol Struct Dyn. 2017 Mar;35(4):868-882. doi: 10.1080/07391102.2016.1165736. Epub 2016 Apr 4. PubMed PMID: 26982261. 4: Supuran CT. Drug interaction considerations in the therapeutic use of carbonic anhydrase inhibitors. Expert Opin Drug Metab Toxicol. 2016;12(4):423-31. doi: 10.1517/17425255.2016.1154534. Epub 2016 Mar 3. Review. PubMed PMID: 26878088. 5: Singh O, Kakularam KR, Reddanna P, Aparoy P. Understanding the Dual Inhibition of COX-2 and Carbonic Anhydrase-II by Celecoxib and CG100649 Using Density Functional Theory Calculations and other Molecular Modelling Approaches. Protein Pept Lett. 2015;22(10):903-12. PubMed PMID: 26095375. 6: Woo JK, Kang JH, Jang YS, Ro S, Cho JM, Kim HM, Lee SJ, Oh SH. Evaluation of preventive and therapeutic activity of novel non-steroidal anti-inflammatory drug, CG100649, in colon cancer: Increased expression of TNF-related apoptosis-inducing ligand receptors enhance the apoptotic response to combination treatment with TRAIL. Oncol Rep. 2015 Apr;33(4):1947-55. doi: 10.3892/or.2015.3793. Epub 2015 Feb 10. PubMed PMID: 25672292. 7: McCarberg BH, Cryer B. Evolving therapeutic strategies to improve nonsteroidal anti-inflammatory drug safety. Am J Ther. 2015 Nov-Dec;22(6):e167-78. doi: 10.1097/MJT.0000000000000123. Review. PubMed PMID: 25251373. 8: Kim MJ, Lim HS, Jin S, Jung JA, Noh YH, Kim YH, Bae KS. Pharmacokinetic, pharmacodynamic, and safety/tolerability profiles of CG100649, a novel COX-2 inhibitor: results of a phase i, randomized, multiple-dose study in healthy Korean men and women. Clin Ther. 2015 Jan 1;37(1):197-210. doi: 10.1016/j.clinthera.2014.07.007. Epub 2014 Aug 2. PubMed PMID: 25097102. 9: Kim SH, Margalit O, Katoh H, Wang D, Wu H, Xia D, Holla VR, Yang P, DuBois RN. CG100649, a novel COX-2 inhibitor, inhibits colorectal adenoma and carcinoma growth in mouse models. Invest New Drugs. 2014 Dec;32(6):1105-1112. doi: 10.1007/s10637-014-0144-z. Epub 2014 Aug 3. PubMed PMID: 25085205; PubMed Central PMCID: PMC4356209. 10: Youn Choi H, Jin SJ, Jung JA, Kim UJ, Ko YJ, Noh YH, Bae KS, Lim HS. Effects of ketoconazole on the pharmacokinetic properties of CG100649, a novel NSAID: a randomized, open-label crossover study in healthy Korean male volunteers. Clin Ther. 2014 Jan 1;36(1):115-25. doi: 10.1016/j.clinthera.2013.12.004. PubMed PMID: 24417786. 11: Hirankarn S, Barrett JS, Alamuddin N, FitzGerald GA, Skarke C. GCG100649, A Novel Cyclooxygenase-2 Inhibitor, Exhibits a Drug Disposition Profile in Healthy Volunteers Compatible With High Affinity to Carbonic Anhydrase-I/II: Preliminary Dose-Exposure Relationships to Define Clinical Development Strategies. Clin Pharmacol Drug Dev. 2013 Oct;2(4):379-86. doi: 10.1002/cpdd.47. Epub 2013 Jul 25. PubMed PMID: 27121942. 12: Skarke C, Alamuddin N, Lawson JA, Cen L, Propert KJ, Fitzgerald GA. Comparative impact on prostanoid biosynthesis of celecoxib and the novel nonsteroidal anti-inflammatory drug CG100649. Clin Pharmacol Ther. 2012 Jun;91(6):986-93. doi: 10.1038/clpt.2012.3. Epub 2012 Jan 25. PubMed PMID: 22278334; PubMed Central PMCID: PMC3740579.

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