3-bromo-6-chloro-phenanthrene-9,10-dione | 892550-45-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 3-bromo-6-chloro-phenanthrene-9,10-dione
• 英文别名: 3-Bromo-6-chlorophenanthrene-9,10-dione
• CAS: 892550-45-7
• 化学式: C₁₄H₆BrClO₂
• 分子量: 321.557
• InChiKey: ZFPCBSKRMCMZFW-UHFFFAOYSA-N

物化性质

• 熔点：
  282-285 °C
• 沸点：
  486.1±38.0 °C(Predicted)
• 密度：
  1.717±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-6-chloro-phenanthrene-9,10-dione 在 ammonium acetate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(9-bromo-6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
  参考文献：
  名称：

  WO2007/124589

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯-N,N-二乙基苯甲酰胺 在 lithium diethylamide 、 溴 、 palladium diacetate 、 sodium carbonate 、 potassium carbonate 、 三苯基膦 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 水 为溶剂， 反应 21.92h， 生成 3-bromo-6-chloro-phenanthrene-9,10-dione
  参考文献：
  名称：

  An Efficient Approach to 3-Bromo-6-chloro-phenanthrene-9,10-dione

  摘要：

  A practical and efficient synthesis of 3-bromo-6-chloro-phenanthrene-9,10-dione was developed and demonstrated on a large scale. The synthetic approach involves six chemical steps and two isolations in 73% overall yield. The key transformations feature an anionic cyclization for generation of the phenanthrene ring, followed by sequential tribromination and hydrolysis for the incorporation of the bromo-diketone functionality.

  DOI：

  10.1021/op8001678

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。
• 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles
  申请人：Chau Anh

  公开号：US20090286772A1

  公开（公告）日：2009-11-19

  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情况引起的疼痛和/或炎症，例如骨关节炎，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。
• 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。