1S-(1α,2α,3α,4α)-2-[[3-[4-[(Pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid | 133026-97-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 1S-(1α,2α,3α,4α)-2-[[3-[4-[(Pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid
• 英文别名: 3-{2-[3-(4-Pentylcarbamoyl-oxazol-2-yl)-7-oxa-bicyclo[2.2.1]hept-2-ylmethyl]-phenyl}-propionic acid；3-[2-[[3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
• CAS: 133026-97-8
• 化学式: C₂₅H₃₂N₂O₅
• 分子量: 440.539
• InChiKey: BBPRUNPUJIUXSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  <1S-(1α,2α,3α,4α)>-2-<<3-<4-<(pentylamino)carbonyl>-2-oxazolyl>-7-oxabicyclo<2.2.1>hept-2-yl>methyl>benzenepropanoic acid methyl ester 在 盐酸 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 1S-(1α,2α,3α,4α)-2-[[3-[4-[(Pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid
  参考文献：
  名称：

  Method for preparing 7-oxabicycloheptyl substituted bromooxazole amide

  摘要：

  提供了一种制备结构为##STR1##的溴氧唑中间体的方法，其中结构为##STR2##的乙烯基化合物，其中X.sup.1和X.sup.2独立地为H和Br，经过金属卤化物（如溴化铜）和碱（如1,8-二氮杂双环[5.4.0]十一烯（DBU））处理。所得的溴氧唑可以水解和氢解为最终的抗血栓和抗血管痉挛化合物。

  公开号：

  US05260449A1

文献信息

• COMPOSITIONS AND METHODS OF TREATING SYSTEMIC SCLEROSIS OR PULMONARY ARTERIAL HYPERTENSION
  申请人：Cumberland Pharmaceuticals, Inc.

  公开号：EP3804717A1

  公开（公告）日：2021-04-14

  The present invention is directed to methods of treating, preventing, and/or ameliorating systemic sclerosis or pulmonary arterial hypertension, by administration of a therapeutically effective amount of ifetroban, or a pharmaceutically acceptable salt thereof.

  本发明涉及通过服用治疗有效量的伊伐曲班或其药学上可接受的盐来治疗、预防和/或改善系统性硬化症或肺动脉高压的方法。
• Compositions and methods of treating cardiac fibrosis with ifetroban
  申请人：Cumberland Pharmaceuticals Inc.

  公开号：US10016399B2

  公开（公告）日：2018-07-10

  The present invention is directed to methods of treating, preventing, and/or ameliorating fibrosis syndrome, and in particular cardiac fibrosis, by administration of a therapeutically effective amount of ifetroban, or a pharmaceutically acceptable salt thereof.

  本发明涉及通过施用治疗有效量的伊伐曲班或其药学上可接受的盐来治疗、预防和/或改善纤维化综合征，特别是心脏纤维化的方法。
• PULMONARY DISEASE TREATMENT AND DIAGNOSIS BASED ON ARHGEF1
  申请人：Torres Raul M.

  公开号：US20130289121A1

  公开（公告）日：2013-10-31

  Treatment and diagnostic methods are provided for pulmonary disease, including chronic obstructive pulmonary disease, Arhgef1, a leukocyte signaling molecule, functions normally to suppress integrin-mediated MMP production by alveolar macrophages. MMP9 production by fibronectin-stimulated monocytes and macrophages depends on autocrine thromboxane receptor signaling and this signaling pathway is attenuated by Arhgef1. Expression of ARHGEF1 by human peripheral blood monocytes varies between individuals and inversely correlates with fibronectin-mediated MMP9 production. Arhgef1 levels can function as a predictor for a pulmonary disease candidate and a thromboxane receptor antagonist can treat a pulmonary disease condition resulting from low Arhgef1 levels.
• PRO-INFLAMMATORY MEDIATORS IN DIAGNOSIS AND TREATMENT OF PULMONARY DISEASE
  申请人：The Regents of the University of Colorado, a body corporate

  公开号：US20150051259A1

  公开（公告）日：2015-02-19

  Treatment and diagnostic methods are provided for pulmonary disease, including chronic obstructive pulmonary disease. Various pro-inflammatory mediators are elevated in a model of COPD that can be used predict the presence of COPD and/or subtypes of COPD in human patients. Profiles of these mediators can also predict the responsiveness of some patients to certain therapies, including thromboxane receptor antagonist treatment. Methods are provided for diagnosing a subject as a pulmonary disease candidate that include determining leukocyte expression in the subject of at least one pro-inflammatory mediator and identifying the subject as a pulmonary disease candidate when leukocyte expression in the subject of the pro-inflammatory mediator is increased compared to leukocyte expression of the pro-inflammatory mediator in a healthy individual. The pulmonary disease candidate can also be treated by administering a therapeutically effective amount of a thromboxane receptor antagonist.
• IFETROBAN TREATMENT FOR SYSTEMIC SCLEROSIS
  申请人：Cumberland Pharmaceuticals, Inc.

  公开号：US20170312255A1

  公开（公告）日：2017-11-02

  The present invention is directed to methods of treating, preventing, and/or ameliorating systemic sclerosis, by administration of a therapeutically effective amount of ifetroban or a pharmaceutically acceptable salt thereof.