CAS Number144060-53-7
Synonyms2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid; Febuxostat; 2-(3-Cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic Acid,This product is unavailable; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid; Uloric; Tei-6720; MFCD00871598; UNII-101V0R1N2E; Adenuric; Febuxostat,This product is unavailable; 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid; TMX 67; 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid
Molecular FormulaC16H16N2O3S
Molecular Weight316.37
Purity98.5-102.0%
Density1.3±0.1 g/cm3
Boiling Point536.6±60.0 °C at 760 mmHg
Melting Point238-239ºC
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 144060-53-7 |
| Catalog No. | 2A-9010455 |
| Chinese Name | 非布索坦 |
| Synonyms | 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid; Febuxostat; 2-(3-Cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic Acid,This product is unavailable; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid; Uloric; Tei-6720; MFCD00871598; UNII-101V0R1N2E; Adenuric; Febuxostat,This product is unavailable; 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid; TMX 67; 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid |
| Molecular Formula | C16H16N2O3S |
| Molecular Weight | 316.37 |
| Purity | 98.5-102.0 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 536.6±60.0 °C at 760 mmHg |
| Melting Point | 238-239ºC |
| Appearance | powder |
| Storage Condition | Refrigerator |
| Application | Febuxostat (TEI 6720; TMX 67) is a selective xanthine oxidase (XO) inhibitor with a Ki of 0.6 nM. |
| HTC | 2934100090 |
| PubChem ID | 329825764 |
| MDL Number | MFCD00871598 |
| SMILES | CC(C)COC1=C(C#N)C=C(C2=NC(C)=C(C(O)=O)S2)C=C1 |
| InChI | 1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20) |
| InChI Key | BQSJTQLCZDPROO-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| MSDS | msds/10455_1_144060_53_7.pdf |
| Bioactivity | Febuxostat(TEI 6720;TMX 67 ) is selective xanthine oxidase inhibitor with Ki of 0.6 nM.IC50 value: 0.6 nM (Ki) [1]Target: xanthine oxidasein vitro: Febuxostat displays potent mixed-type inhibition of the activity of purified bovine milk xanthine oxidase, with Ki and Ki' values of 0.6 nM and 3.1 nM respectively, indicating inhibition of both the oxidized and reduced forms of xanthine oxidase [1]. in vivo: Febuxostat (5-6 mg/kg/day) combined with fructose significantly lowers blood pressure, UA, triglycerides, and insulin in rats compared with fructose alone. Febuxostat (5-6 mg/kg/day) combined with fructose also reduces glomerular pressure, renal vasoconstriction, and afferent arteriolar area in rats compared with fructose alone [2]. Febuxostat prevents hyperuricemia in 5/6 nephrectomy (5/6 Nx)+oxonic acid (OA)+Febuxostat(Fx) rats and ameliorates proteinuria, preserves renal function and prevents glomerular hypertension in both 5/6 nephrectomy (5/6 Nx)+vehicle (V)+Febuxostat(Fx) and 5/6 nephrectomy (5/6 Nx)+oxonic acid (OA)+Febuxostat(Fx) groups [3]. Febuxostat (5 mg/kg/d by gavage for 8 days) treatment after transverse aortic constriction (TAC) attenuates the TAC-induced left ventricular (LV) hypertrophy and dysfunction. Febuxostat blunts the TAC-induced increases in nitrotyrosine (indicating reduced myocardial oxidative stress), p-Erk(Thr202/Tyr204), and p-mTOR(Ser2488), with no effect on total Erk or total mTOR [4]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Xanthine Oxidase Research Areas >> Metabolic Disease References [1]. Takano Y, et al. Selectivity of febuxostat, a novel non-purine inhibitor of xanthine oxidase/xanthine dehydrogenase. Life Sci, 2005, 76(16), 1835-1847. [2]. Sánchez-Lozada LG, et al. Effects of febuxostat on metabolic and renal alterations in rats with fructose-induced metabolic syndrome. Am J Physiol Renal Physiol, 2008, 294(4), F710-F718. [3]. Sánchez-Lozada LG, et al. Effect of febuxostat on the progression of renal disease in 5/6 nephrectomy rats with and without hyperuricemia. Nephron Physiol, 2008, 108(4), p69-p78. [4]. Xu X, et al. Xanthine oxidase inhibition with febuxostat attenuates systolic overload-induced left ventricular hypertrophy and dysfunction in mice. Card Fail, 2008, 14(9), 746-753. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 536.6±60.0 °C at 760 mmHg Melting Point 238-239ºC Molecular Formula C16H16N2O3S Molecular Weight 316.375 Flash Point 278.3±32.9 °C Exact Mass 316.088165 PSA 111.45000 LogP 4.87 Vapour Pressure 0.0±1.5 mmHg at 25°C Index of Refraction 1.606 InChIKey BQSJTQLCZDPROO-UHFFFAOYSA-N SMILES Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O Storage condition Refrigerator |
| Use of | Properties Name 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Synonym More Synonyms Febuxostat Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Xanthine Oxidase Research Areas >> Metabolic Disease References [1]. Takano Y, et al. Selectivity of febuxostat, a novel non-purine inhibitor of xanthine oxidase/xanthine dehydrogenase. Life Sci, 2005, 76(16), 1835-1847. [2]. Sánchez-Lozada LG, et al. Effects of febuxostat on metabolic and renal alterations in rats with fructose-induced metabolic syndrome. Am J Physiol Renal Physiol, 2008, 294(4), F710-F718. [4]. Xu X, et al. Xanthine oxidase inhibition with febuxostat attenuates systolic overload-induced left ventricular hypertrophy and dysfunction in mice. Card Fail, 2008, 14(9), 746-753. Chemical & Physical Properties Molecular Formula C16H16N2O3S Exact Mass 316.088165 PSA 111.45000 Index of Refraction 1.606 InChIKey BQSJTQLCZDPROO-UHFFFAOYSA-N Storage condition Refrigerator |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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