1-(3-iodopropyl)-4-phenoxyBenzene | 142523-68-0

• 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: 1-(3-iodopropyl)-4-phenoxyBenzene
• CAS: 142523-68-0
• 化学式: C₁₅H₁₅IO
• 分子量: 338.188
• InChiKey: RRGXEYJEXRUSMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  373.0±35.0 °C(Predicted)
• 密度：
  1.482±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(3-iodopropyl)-4-phenoxyBenzene 在 甲醇 、 正丁基锂 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and cytotoxicity of 7-deoxy aryl discodermolide analogues

  摘要：

  A series of 7-deoxy discodermolide analogues in which the lactone fragment 'C' was replaced by aryl substituents were designed, synthesized, and evaluated for cytotoxicity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.102
• 作为产物：
  描述：

  在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 1.0h， 生成 1-(3-iodopropyl)-4-phenoxyBenzene
  参考文献：
  名称：

  Phosphonosulfonates Are Potent, Selective Inhibitors of Dehydrosqualene Synthase and Staphyloxanthin Biosynthesis in Staphylococcus aureus

  摘要：

  Staphylococcus aureus produces a golden carotenoid virulence factor called staphyloxanthin (STX), and we report here the inhibition of the enzyme, dehydrosqualene synthase (CrtM), responsible for the first committed step in STX biosynthesis. The most active compounds are halogen-substituted phosphonosulfonates, with K-i values as low as 5 nM against the enzyme and IC50 values for STX inhibition in S. aureus as low as 11 nM. There is, however, only a poor correlation (R-2 = 0.27) between enzyme and cell pIC(50) (= -log(10) IC50) values. The ability to predict cell from enzyme data improves considerably (to R-2 = 0.72) with addition of two more descriptors. We also investigated the activity of these compounds against human squalene synthase (SQS), as a counterscreen, finding several potent STX biosynthesis inhibitors with essentially no squalene synthase activity. These results open up the way to developing potent and selective inhibitors of an important virulence factor in S. aureus, a major human pathogen.

  DOI：

  10.1021/jm801023u

文献信息

• Antimanic phenoxymethylene bisphosphonate derivatives
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0485026A2

  公开（公告）日：1992-05-13

  A class of substituted phenoxymethylene bisphosphonate derivatives inhibit the action of inositol monophosphatase enzymes and are therefore useful in the treatment and/or prevention of bipolar and nonbipolar depressive disorders, and psychotic disorders other than mania, without exhibiting the spectrum of severe side-effects customarily associated with lithium treatment.

  一类取代苯氧甲烷双磷酸酯衍生物抑制肌醇一磷酸酶酶的作用，因此在治疗和/或预防双相和非双相抑郁症以及精神病性障碍（不包括躁狂症）方面非常有用，而不表现出通常与锂治疗相关的严重副作用谱。