(2E)-2-(4-bromophenyl)-3-(4-chloro-2-nitrophenyl)acrylic acid | 892550-47-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (2E)-2-(4-bromophenyl)-3-(4-chloro-2-nitrophenyl)acrylic acid
• 英文别名: (E)-2-(4-bromophenyl)-3-(4-chloro-2-nitrophenyl)prop-2-enoic acid
• CAS: 892550-47-9
• 化学式: C₁₅H₉BrClNO₄
• 分子量: 382.598
• InChiKey: QBOSDHNTIXQAFD-NTUHNPAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2E)-2-(4-bromophenyl)-3-(4-chloro-2-nitrophenyl)acrylic acid 在 chromium(VI) oxide 、 硫酸 、 ammonium acetate 、 铁粉 、 溶剂黄146 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 5.17h， 生成 9-bromo-6-chloro-2-(2,6-dibromophenyl)-1H-phenanthro[9,10-d]imidazole
  参考文献：
  名称：

  WO2007/124589

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯-2-硝基苯甲醛 、 对溴苯乙酸 在 potassium carbonate 作用下， 以 乙酸酐 为溶剂， 生成 (2E)-2-(4-bromophenyl)-3-(4-chloro-2-nitrophenyl)acrylic acid
  参考文献：
  名称：

  WO2007/61849

  摘要：

  公开号：

文献信息

• 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors
  申请人：Chau Anh

  公开号：US20090075998A1

  公开（公告）日：2009-03-19

  The invention encompasses novel compounds of Formula I or pharmaceutically acceptable salts thereof. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful to treat pain and/or inflammation from a variety of diseases or conditions, such as osteoarthritis, rheumatoid arthritis and acute or chronic pain. Methods of treating diseases or conditions mediated by the mPGES-1 enzyme and pharmaceutical compositions are also encompassed.

  该发明涵盖了式I的新化合物或其药学上可接受的盐。这些化合物是微粒体前列腺素E合酶-1（mPGES-1）酶的抑制剂，因此可用于治疗多种疾病或情况引起的疼痛和/或炎症，如骨关节炎，类风湿性关节炎和急性或慢性疼痛。还包括治疗由mPGES-1酶介导的疾病或情况的方法和制药组合物。
• 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors
  申请人：Chau Anh

  公开号：US20070208017A1

  公开（公告）日：2007-09-06

  The invention encompasses novel compounds of Formula I or pharmaceutically acceptable salts thereof. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful to treat pain and/or inflammation from a variety of diseases or conditions, such as osteoarthritis, rheumatoid arthritis and acute or chronic pain. Methods of treating diseases or conditions mediated by the mPGES-1 enzyme and pharmaceutical compositions are also encompassed.

  本发明涵盖了公式I的新化合物或其药学上可接受的盐。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此可用于治疗各种疾病或病况引起的疼痛和/或炎症，如骨关节炎、类风湿性关节炎和急性或慢性疼痛。还包括治疗由mPGES-1酶介导的疾病或病况的方法和制药组合物。
• Method of Generating Amorphous Solid for Water-Insoluble Pharmaceuticals
  申请人：Cote Aaron

  公开号：US20090111997A1

  公开（公告）日：2009-04-30

  The invention encompasses a method for making an amorphous solid of a water-insoluble pharmaceutical comprising: (1) dissolving the water-insoluble pharmaceutical in a water-miscible solvent, optionally with water, to make a solution; (2)(i) rapidly mixing the solution with an antisolvent, wherein the antisolvent is water, at low temperature to precipitate an amorphous solid of the water-insoluble pharmaceutical, or (ii) rapidly mixing the solution with an antisolvent, wherein the antisolvent is water, to precipitate an amorphous solid of the water-insoluble pharmaceutical and subsequently cooling to low temperature; and (3) isolating the amorphous solid of the water-insoluble pharmaceutical. In an embodiment of the invention, the rapid mixing is conducted using an impinging jet device.

  本发明涵盖一种制备水不溶性药物非晶固体的方法，包括：（1）将水不溶性药物溶解于水亲和性溶剂中，可选地加入水，制成溶液；（2）（i）在低温下将溶液与抗溶剂（抗溶剂为水）快速混合，使水不溶性药物的非晶固体沉淀下来，或（ii）在快速混合溶液与抗溶剂（抗溶剂为水）后，再冷却至低温，使水不溶性药物的非晶固体沉淀下来；（3）分离水不溶性药物的非晶固体。在本发明实施例中，快速混合使用撞击喷嘴装置进行。
• Methods for Treating or Preventing Neoplasias
  申请人：Kargman Stacia

  公开号：US20090192158A1

  公开（公告）日：2009-07-30

  The present invention is directed to a method for treating or preventing a neoplasia in a human patient in need of such treatment comprising administering to the patient a compound that inhibits microsomal prostaglandin E synthase-1 in an amount that is effective for treating or preventing the neoplasia.

  本发明涉及一种治疗或预防人类患者肿瘤的方法，包括向患者施用一种抑制微粒体前列腺素E合酶-1的化合物，其剂量足以治疗或预防该肿瘤。
• WO2007/59610
  申请人：——

  公开号：——

  公开（公告）日：——