(5-isoxazolylmethyl)-triphenylphosphonium bromide | 113351-96-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (5-isoxazolylmethyl)-triphenylphosphonium bromide
• 英文别名: 5-(methylisoxazole)triphenylphosphonium bromide；[(1,2-Oxazol-5-yl)methyl](triphenyl)phosphanium bromide；1,2-oxazol-5-ylmethyl(triphenyl)phosphanium;bromide
• CAS: 113351-96-5
• 化学式: Br*C₂₂H₁₉NOP
• 分子量: 424.277
• InChiKey: NJFLVRDZUKTHTE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  巴豆醛 、 (5-isoxazolylmethyl)-triphenylphosphonium bromide 在 正丁基锂 作用下， 生成 (E,E)-5-(1,3-pentadienyl)isoxazole
  参考文献：
  名称：

  A general method for the synthesis of tetramic acid derivatives

  摘要：

  DOI：

  10.1021/jo00242a003
• 作为产物：
  描述：

  5-溴甲基异恶唑 、 三苯基膦 以 乙腈 为溶剂， 反应 8.0h， 以95%的产率得到(5-isoxazolylmethyl)-triphenylphosphonium bromide
  参考文献：
  名称：

  5-[（E）-2-芳基乙烯基] -3-异恶唑羧酸烷基酯衍生物作为有价值的抗结核化学型的合成，生物学评估和结构活性关系。

  摘要：

  结核病（TB）主要由结核分枝杆菌（Mtb）引起，是全世界传染病致死的主要原因之一。它与艾滋病毒并发感染，以及多重耐药结核病（MDR-TB）和广泛耐药结核病（XDR-TB）菌株的出现，进一步加剧了结核病的流行。尽管结核病具有全球影响力，但它仍被认为是一种被忽视的疾病，在过去的四十年中，尚未引入任何新的抗结核疗法。结核病的非复制性持续性形式（NRP-TB）决定了治疗时间，是治疗失败的推定原因。因此，新的抗结核病药物对两种Mtb复制形式均具有活性迫切需要（R-TB）和NRP-TB。在这里，我们报告了一系列有效的抗结核病药物5-[（E）-2-芳基乙烯基] -3-异恶唑羧酸烷基酯的合成和构效关系（SAR）。几种化合物具有对R-TB的亚微摩尔最低抑制浓度（MIC），并且在低微摩尔范围内具有抗NRP-TB的活性，因此代表了可能开发新的抗结核药物的诱人的先导化合物。

  DOI：

  10.1021/jm900513a

文献信息

• Antipicornaviral compounds and compositons, their pharmaceutical uses, and materials for their synthesis
  申请人：——

  公开号：US20030130204A1

  公开（公告）日：2003-07-10

  Peptido and peptidomimetic compounds of the formula: 1 wherein the formula variables are as defined in the disclosure, advantageously inhibit or block the biological activity of the picornaviral 3C protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with one or more picornaviruses, such as RVP. Intermediates and synthetic methods for preparing such compounds are also provided.

  肽和肽类似化合物的公式为：1，其中公式变量如披露中所定义，有利地抑制或阻止了小肠病毒3C蛋白酶的生物活性。这些化合物以及含有这些化合物的制药组合物，对于治疗感染一种或多种小肠病毒（如RVP）的患者或宿主是有用的。还提供了制备这些化合物的中间体和合成方法。
• Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis
  申请人：Dragovich Scott Peter

  公开号：US20060046966A1

  公开（公告）日：2006-03-02

  Peptido and peptidomimetic compounds of the formula: wherein the formula variables are as defined in the disclosure, advantageously inhibit or block the biological activity of the picornaviral 3C protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with one or more picornaviruses, such as RVP. Intermediates and synthetic methods for preparing such compounds are also provided.

  肽和类肽模拟化合物的公式如下：其中公式变量如披露中所定义，有利地抑制或阻断小肠病毒3C蛋白酶的生物活性。这些化合物以及含有这些化合物的药物组合物，对于治疗感染一种或多种小肠病毒（如RVP）的患者或宿主非常有用。还提供了制备这些化合物的中间体和合成方法。
• Antipicornaviral compounds, their preparation and use
  申请人：AGOURON PHARMACEUTICALS, INC.

  公开号：EP1329457A2

  公开（公告）日：2003-07-23

  Peptido and peptidomimetic compounds of formula (I) wherein the formula variables are as defined in the disclosure, advantageously inhibit or block the biological activity of the picornaviral 3C protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with one or more picornaviruses, such as RVP. Intermediates and synthetic methods for preparing such compounds are also provided.

  式(I)的拟肽和拟肽化合物（其中式中的变量如本公开所定义）可有效抑制或阻断皮卡病毒 3C 蛋白酶的生物活性。这些化合物以及含有这些化合物的药物组合物可用于治疗感染一种或多种皮卡病毒（如 RVP）的患者或宿主。还提供了制备此类化合物的中间体和合成方法。
• Synthesis and Evaluation of 2β-0xyimino and Alkenylpenicillanic Acid Sulfone Derivatives as β-Lactamase Inhibitors
  作者：Young Seo Cho、Young Jin Ha、Jin Sun Kwon、Ae Nim Pae、Kyung Il Choi、Hun Yeong Koh、Moon Ho Chang、Cheol-Min Yoon、Gwan Sun Lee

  DOI：10.1002/(sici)1521-4184(19991)332:1<7::aid-ardp7>3.0.co;2-m

  日期：1999.1

  The synthesis and in vitro synergies of 2 beta-alkenyl and oxyiminopenam sulfone derivatives are described. Most of the compounds synthesized exhibited good inhibitory activities and synergistic antibacterial activities with piperacillin and ceftriaxone, respectively, against several beta-lactamase producing strains. Particularly the 2 beta-alkenylpenam sulfone derivatives. 1e and 1g, showed good synergistic activity with ceftriaxone against Citrobacter freundi NIH 10018-68 and Proteus vulgaris 20. Also the compounds 2a, 2c, and 2f, 2 beta-oxyiminopenam sulfone derivatives, exhibited improved synergistic activity with piperacillin against Citrobacter freundi NIH 10018-68.
• Synthesis and biological activity of 1β-methyl-2-[5′-isoxazoloethenylpyrrolidin-3′-ylthio]carbapenems
  作者：Dong Jin Kim、Kyung Jae Seo、Kyung Seok Lee、Kye Jung Shin、Kyung Ho Yoo、Dong Chan Kim、Sang Woo Park

  DOI：10.1016/s0960-894x(00)00575-8

  日期：2000.12

  A new series of 1 beta -methylcarbapenems 1a-i bearing isoxazoloethenyl groups on the pyrrolidine ring has been prepared and evaluated for in vitro antibacterial activity and stability to DHP-I. Most compounds showed excellent antibacterial activity and high stability to DHP-I superior to that of meropenem. Of these new carbapenems, 1a,b,h exhibited the best combination of antibacterial activity and DHP-I stability. (C) 2000 Elsevier Science Ltd. All rights reserved.