[3-[[3-(amidomethyl)-2-methyl-1-(phenylmethyl)-indol-5-yl]oxy]propyl]phosphonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: [3-[[3-(amidomethyl)-2-methyl-1-(phenylmethyl)-indol-5-yl]oxy]propyl]phosphonic acid
• 英文别名: [3-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]phosphonic acid；[3-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-propyl-]-phosphonic acid；3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxypropylphosphonic acid
• 化学式: C₂₁H₂₅N₂O₅P
• 分子量: 416.414
• InChiKey: AQEYCNKFBRLUOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(carbomethoxy)-2-methyl-1-(phenylmethyl)-5-hydroxyindole 在 氢氧化钾 、 sodium hydroxide 、 lithium aluminium tetrahydride 、 碘代三甲硅烷 、 三氟化硼乙醚 、 四丁基溴化铵 、 三溴化硼 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 、 叔丁醇 为溶剂， 反应 26.0h， 生成 [3-[[3-(amidomethyl)-2-methyl-1-(phenylmethyl)-indol-5-yl]oxy]propyl]phosphonic acid
  参考文献：
  名称：

  Synthesis of indomethacin analogues for evaluation as modulators of MRP activity

  摘要：

  Synthesis of a range of indomethacin analogues, required for investigation in combination toxicity assays, bearing both N-benzyl and N-benzoyl groups, is described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00292-3

文献信息

• 1H-indole-3-acetamide sPLA.sub.2 inhibitors
  申请人：Eli Lilly and Company

  公开号：US05684034A1

  公开（公告）日：1997-11-04

  A class of novel 1-indole-3-acetamides represented by the formula; ##STR1## is disclosed together with the use of such indole compounds for inhibiting sPLA.sub.2 mediated release of fatty acids.

  一类由以下式表示的新型1-吲哚-3-乙酰胺类化合物被揭示，同时还公开了利用这类吲哚化合物抑制sPLA.sub.2介导的脂肪酸释放的用途。
• Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors
  申请人：Chang Han-Ting

  公开号：US20070135385A1

  公开（公告）日：2007-06-14

  Indole and indole-related compounds, compositions and methods are disclosed. The compounds of the invention are useful as phospholipase inhibitors. The compounds and compositions of the invention are useful for treatment of phospholipase-related conditions, such as insulin-related, weight-related and/or cholesterol-related conditions in an animal subject.

  吲哚和与吲哚相关的化合物、组合物以及方法被披露。发明中的这些化合物作为磷脂酶抑制剂非常有用。发明中的这些化合物和组合物用于治疗动物受试者中的磷脂酶相关状况，例如胰岛素相关、体重相关和/或胆固醇相关状况。
• Novel methods and compositions for the treatment or prevention of dysmenorrhoea and menstrual side effects: the use of phospholipase inhibitors
  申请人：——

  公开号：US20040247639A1

  公开（公告）日：2004-12-09

  The present invention discloses the use of phospholipases A 2 inhibitors in compositions and in methods for the treatment and/or prophylaxis of dysmenorrhoea, menstrual migraine and menorrhagia.

  本发明揭示了在组合物和治疗和/或预防痛经、月经偏头痛和月经过多的方法中使用磷脂酶A2抑制剂。
• Treatment Of Diet-Related Conditions Using Phospholipase-A2 Inhibitors Comprising Indoles And Related Compounds
  申请人：Buysse M. Jerry

  公开号：US20080021049A1

  公开（公告）日：2008-01-24

  The present invention provides methods and compositions for the treatment of phospholipase-related conditions. In particular, the invention provides a method of treating insulin-related, weight-related conditions and/or cholesterol-related conditions in an animal subject. The method generally involves the administration of a phospholipase A2 inhibitor having comprising a substituted organic compound having a fused five-member ring and six-member ring, such as indole-containing compounds.

  本发明提供了治疗磷脂酶相关疾病的方法和组合物。特别地，本发明提供了一种治疗动物主体中的胰岛素相关、体重相关和/或胆固醇相关疾病的方法。该方法通常涉及到给动物主体注射一种含有融合的五元环和六元环的取代有机化合物的磷脂酶A2抑制剂，例如吲哚类化合物。
• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。