Febuxostat hemihydrate | CAS# 442664-09-7 | Biochemical

MedKoo Cat#: 575380 | Name: Febuxostat hemihydrate

Description:

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

Febuxostat hemihydrate is a xanthine oxidase inhibitor used to treat hyperuricemia and chronic gout.

Chemical Structure

Febuxostat hemihydrate

CAS#442664-09-7 (hemihydrate)

Theoretical Analysis

MedKoo Cat#: 575380

Name: Febuxostat hemihydrate

CAS#: 442664-09-7 (hemihydrate)

Chemical Formula: C32H34N4O7S2

Exact Mass: 650.1869

Molecular Weight: 650.76

Elemental Analysis: C, 59.06; H, 5.27; N, 8.61; O, 17.21; S, 9.85

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 #

144060-53-7 (free acid) 442664-09-7 (hemihydrate)

Synonym

Febuxostat hemihydrate; Febuxostat hydrate

IUPAC/Chemical Name

5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, hydrate (2:1)

InChi Key

PBDGWWSMDHCTAJ-UHFFFAOYSA-N

InChi Code

1S/2C16H16N2O3S.H2O/c2*1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20;/h2*4-6,9H,8H2,1-3H3,(H,19,20);1H2

SMILES Code

O.CC(C)COc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O.CC(C)COc3ccc(cc3C#N)c4nc(C)c(s4)C(=O)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

>3 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 650.76 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.

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: Sircar D, Chatterjee S, Waikhom R, Golay V, Raychaudhury A, Chatterjee S, Pandey R. Efficacy of Febuxostat for Slowing the GFR Decline in Patients With CKD and Asymptomatic Hyperuricemia: A 6-Month, Double-Blind, Randomized, Placebo-Controlled Trial. Am J Kidney Dis. 2015 Dec;66(6):945-50. doi: 10.1053/j.ajkd.2015.05.017. Epub 2015 Jul 30. PubMed PMID: 26233732. 2: Tanaka K, Nakayama M, Kanno M, Kimura H, Watanabe K, Tani Y, Hayashi Y, Asahi K, Terawaki H, Watanabe T. Renoprotective effects of febuxostat in hyperuricemic patients with chronic kidney disease: a parallel-group, randomized, controlled trial. Clin Exp Nephrol. 2015 Dec;19(6):1044-53. doi: 10.1007/s10157-015-1095-1. Epub 2015 Feb 13. PubMed PMID: 25676011. 3: Zhou H, Zheng Y, Wu G, Hu X, Zhai Y, Iv D, Liu J, Wu L, Shentu J. Pharmacokinetics and tolerability of febuxostat after oral administration in healthy Chinese volunteers: a randomized, open-label, singleand multiple-dose three-way crossover study. Int J Clin Pharmacol Ther. 2016 Feb;54(2):115-24. doi: 10.5414/CP202394. PubMed PMID: 26636422. 4: Tsuruta Y, Kikuchi K, Tsuruta Y, Sasaki Y, Moriyama T, Itabashi M, Takei T, Uchida K, Akiba T, Tsuchiya K, Nitta K. Febuxostat improves endothelial function in hemodialysis patients with hyperuricemia: A randomized controlled study. Hemodial Int. 2015 Oct;19(4):514-20. doi: 10.1111/hdi.12313. Epub 2015 May 21. PubMed PMID: 25998500. 5: Luo Z, Nan F, Miao J, Chen Z, Li M, Liang M. Pharmacokinetics and Bioequivalence of Two Formulations of Febuxostat 40-Mg and 80-Mg Tablets: A Randomized, Open-Label, 4-Way Crossover Study in Healthy Chinese Male Volunteers. PLoS One. 2016 Mar 14;11(3):e0150661. doi: 10.1371/journal.pone.0150661. eCollection 2016. PubMed PMID: 26974539; PubMed Central PMCID: PMC4790952. 6: Tani S, Nagao K, Hirayama A. Effect of Febuxostat, a Xanthine Oxidase Inhibitor, on Cardiovascular Risk in Hyperuricemic Patients with Hypertension: A Prospective, Open-label, Pilot Study. Clin Drug Investig. 2015 Dec;35(12):823-31. doi: 10.1007/s40261-015-0349-8. PubMed PMID: 26482071. 7: Spina M, Nagy Z, Ribera JM, Federico M, Aurer I, Jordan K, Borsaru G, Pristupa AS, Bosi A, Grosicki S, Glushko NL, Ristic D, Jakucs J, Montesinos P, Mayer J, Rego EM, Baldini S, Scartoni S, Capriati A, Maggi CA, Simonelli C; FLORENCE Study Group. FLORENCE: a randomized, double-blind, phase III pivotal study of febuxostat versus allopurinol for the prevention of tumor lysis syndrome (TLS) in patients with hematologic malignancies at intermediate to high TLS risk. Ann Oncol. 2015 Oct;26(10):2155-61. doi: 10.1093/annonc/mdv317. Epub 2015 Jul 27. PubMed PMID: 26216382. 8: Wu Y, Mao Z, Liu Y, Wang X, Di X. Simultaneous determination of febuxostat and its three active metabolites in human plasma by liquid chromatography-tandem mass spectrometry and its application to a pharmacokinetic study in Chinese healthy volunteers. J Pharm Biomed Anal. 2015 Oct 10;114:216-21. doi: 10.1016/j.jpba.2015.05.020. Epub 2015 Jun 11. PubMed PMID: 26072013. 9: Sezai A, Soma M, Nakata K, Osaka S, Ishii Y, Yaoita H, Hata H, Shiono M. Comparison of febuxostat and allopurinol for hyperuricemia in cardiac surgery patients with chronic kidney disease (NU-FLASH trial for CKD). J Cardiol. 2015 Oct;66(4):298-303. doi: 10.1016/j.jjcc.2014.12.017. Epub 2015 Jan 31. PubMed PMID: 25649025. 10: Altan A, Shiozawa A, Bancroft T, Singh JA. A Real-World Study of Switching From Allopurinol to Febuxostat in a Health Plan Database. J Clin Rheumatol. 2015 Dec;21(8):411-8. doi: 10.1097/RHU.0000000000000322. PubMed PMID: 26580304; PubMed Central PMCID: PMC4654265. 11: Yamamoto T, Hidaka Y, Inaba M, Ishimura E, Ooyama H, Kakuta H, Moriwaki Y, Higami K, Ohtawara A, Hosoya T, Nishikawa H, Taniguchi A, Ueda T, Yamauchi T, Fujimori S, Mineo I, Yamanaka H. Effects of febuxostat on serum urate level in Japanese hyperuricemia patients. Mod Rheumatol. 2015 Sep;25(5):779-83. doi: 10.3109/14397595.2015.1016257. Epub 2015 Jun 12. PubMed PMID: 25671406. 12: Nishizawa T, Taniura T, Nomura S. Effects of febuxostat on platelet-derived microparticles and adiponectin in patients with hyperuricemia. Blood Coagul Fibrinolysis. 2015 Dec;26(8):887-92. doi: 10.1097/MBC.0000000000000335. PubMed PMID: 26164850; PubMed Central PMCID: PMC4664023. 13: Xu S, Liu X, Ming J, Chen S, Wang Y, Liu X, Liu H, Peng Y, Wang J, Lin J, Ji H, Liu B, Lu Y, Liu P, Zhang Y, Ji Q. A phase 3, multicenter, randomized, allopurinol-controlled study assessing the safety and efficacy of oral febuxostat in Chinese gout patients with hyperuricemia. Int J Rheum Dis. 2015 Jul;18(6):669-78. doi: 10.1111/1756-185X.12648. Epub 2015 May 27. PubMed PMID: 26013187. 14: Fukui T, Maruyama M, Yamauchi K, Yoshitaka S, Yasuda T, Abe Y. Effects of Febuxostat on Oxidative Stress. Clin Ther. 2015 Jul 1;37(7):1396-401. doi: 10.1016/j.clinthera.2015.03.026. Epub 2015 Apr 23. PubMed PMID: 25913922. 15: Wang S, Li Y, Song X, Wang X, Zhao C, Chen A, Yang P. Febuxostat pretreatment attenuates myocardial ischemia/reperfusion injury via mitochondrial apoptosis. J Transl Med. 2015 Jul 2;13:209. doi: 10.1186/s12967-015-0578-x. PubMed PMID: 26136232; PubMed Central PMCID: PMC4489215.