CAS: 112559-91-8; 4-(4-(4-(4-((2-((1H-1,2,4-Triazol-1-yl)Methyl)-2-(2,4-Dichlorophenyl)-1,3-Dioxolan-4-yl)Methoxy)Phenyl)Piperazin-1-yl)Phenyl)-2-(3-Hydroxybutan-2-yl)-2,4-Dihydro-3H-1,2,4-Triazol-3-One
该化合物是一种用于治疗各种真菌感染的抗氟酸酯,是一种常用于治疗各种真菌感染的抗氟酸盐的衍生物,其特征是它能够抑制热固醇的合成,这是真菌细胞膜膜中一个至关重要的组成部分,从而破坏真菌生长和复制.丙烯酸丙烯酸盐展示了广泛的抗氟酸酯活动,特别是针对Candida和Aspergilus物种.该化合物通常通过口服方式施用,并因其溶性较其母体化合物的溶性和生物利用率有所提高而闻名.其药用植物基因动力学涉及肝脏的广泛代谢,导致形成活性代谢物.还注意到丙烯酸盐可能与其他药物发生相互作用,因为它对细胞色素P450酶产生影响.在临床环境中,它经常被用于其他抗硫酸治疗失败或不合适的情况下.安全剖面表明它可能会产生副作用,包括气肠内醇紊乱和抗性肝脏感染,特别是在全面抗变能中,这是它的一种重要的抗体反应需要.
- 英文名称4-(4-(4-(4-((2-((1H-1,2,4-Triazol-1-yl)Methyl)-2-(2,4-Dichlorophenyl)-1,3-Dioxolan-4-yl)Methoxy)Phenyl)Piperazin-1-yl)Phenyl)-2-(3-Hydroxybutan-2-yl)-2,4-Dihydro-3H-1,2,4-Triazol-3-One
- 中文名称羟基伊曲康唑(伊曲康唑代谢物)
- IUPAC名称4-(4-(4-(4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-(3-hydroxybutan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
- 其它别名HYDROXY ITRACONAZOLE; 3H-1,2,4-Triazol-3-one, 4-4-4-4-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxyphenyl-1-piperazinylphenyl-2,4-dihydro-2-(2-hydroxy-1-methylpropyl)-; 4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(2-hydroxy-1-methylpropyl)-3H-1,2,4-triazol-3-one
- CAS编号112559-91-8
- MFCD编号:MFCD28964104
- 分子式:C35H38Cl2N8O5分子量:721.65
- 产品CID: 158258
- 同类组份化合物CAS207970-87-4
- 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品
物理性质
- 熔点76-78°C
- 沸点884.7±75.0 °C(预测)
- 闪点488.8 °C
- 密度1.44±0.1 g/cm3(预测)
- pKa:14.72±0.20(预测)
- PSA:103.95
- LogP:4.9671
- 折射率1.687
- 蒸汽压0 mmHg at 25 °C
- 溶解性Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- 外观形态白色至浅米色固体
- 储存条件-20°C 冷藏
- 产品应用该化合物是一种活性代谢物,是三联苯抗芬甲酸酯剂ITRACONAZOLE(ITZ)的一种活性替代品,在体外表现出抗芬基活动;其抗芬固醇的功效应与ITZ和HLEXY ITRACONACHOLE等离子体在临床环境中的浓度一并考虑.
MSDS等安全信息
合成工艺路线路线简述
海关参考信息
- 2902600000-乙苯
2903919090-氯苯
2905122000-异丙醇
2905310000-1,2-乙二醇 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Abuhelwa AY, Foster DJ, Mudge S, Hayes D, Upton RN. Population pharmacokinetic modeling of itraconazole and hydroxyitraconazole for oral SUBA-itraconazole and sporanox capsule formulations in healthy subjects in fed and fasted states. Antimicrob Agents Chemother. 2015 Sep;59(9):5681-96. doi: 10.1128/AAC.00973-15. Epub 2015 Jul 6.
2: Xiong X, Zhai S, Duan J. Validation of a fast and reliable liquid chromatography-tandem mass spectrometry (LC-MS/MS) with atmospheric pressure chemical ionization method for simultaneous quantitation of voriconazole, itraconazole and its active metabolite hydroxyitraconazole in human plasma. Clin Chem Lab Med. 2013 Feb;51(2):339-46.
4: Miura M, Takahashi N, Nara M, Fujishima N, Kagaya H, Kameoka Y, Saitoh H, Tagawa H, Sawada K. A simple, sensitive high-performance liquid chromatography -ultraviolet method for the quantification of concentration and steady-state pharmacokinetics of itraconazole and hydroxyitraconazole. Ann Clin Biochem. 2010 Sep;47(Pt 5):432-9. doi: 10.1258/acb.2010.010029. Epub 2010 Jul 1. doi: 10.1097/FTD.0b013e3182381bb1. doi: 10.1177/0091270010365557. Epub 2010 Apr 16. doi: 10.1002/bmc.1341. doi: 10.1002/bmc.1186. Review. doi: 10.1124/dmd.108.020644. Epub 2008 Mar 13. doi: 10.1128/AAC.00404-10. Epub 2010 Sep 20.
合成参考文献
摘要:S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560
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