4-amino-2-morpholin-4-ylbenzoic acid ethyl ester | 915390-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-amino-2-morpholin-4-ylbenzoic acid ethyl ester
• 英文别名: Ethyl 4-amino-2-morpholin-4-ylbenzoate
• CAS: 915390-04-4
• 化学式: C₁₃H₁₈N₂O₃
• 分子量: 250.298
• InChiKey: OGJMZYBJHMLDQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  64.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 2-(morpholin-4-yl)-4-nitrobenzoate 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 生成 4-amino-2-morpholin-4-ylbenzoic acid ethyl ester
  参考文献：
  名称：

  WO2006/123725

  摘要：

  公开号：

文献信息

• Pyrrolidine derivative or salt thereof
  申请人：Hachiya Shunichiro

  公开号：US20090062366A1

  公开（公告）日：2009-03-05

  [Problem] To provide a compound which may be used in treating diseases in which a calcium sensing receptor (CaSR) is concerned, particularly hyperparathyroidism. [Means for Resolution] It was found that novel pyrrolidine derivatives which are characterized by the possession of aminomethyl group substituted with arylalkyl group or the like, or salts thereof, have excellent CaSR agonistic regulatory activity and also have excellent selectivity with CYP2D6 inhibitory activity having a possibility of causing drug interaction. Based on the above, these novel pyrrolidine derivatives are useful as therapeutic agents for treating diseases in which CaSR is concerned (hyperparathyroidism, renal osteodystrophy, hypercalcemia and the like).

  [问题] 提供一种可用于治疗钙敏感受体（CaSR）相关疾病，特别是甲状旁腺功能亢进症的化合物。 [解决方法] 发现了一种新型吡咯烷衍生物，其特征在于具有氨甲基基团，该基团被芳基烷基或类似物取代，或其盐，具有出色的CaSR激动调节活性，并且具有出色的选择性与CYP2D6抑制活性，可能导致药物相互作用。基于以上发现，这些新型吡咯烷衍生物可用作治疗CaSR相关疾病（甲状旁腺功能亢进症，肾性骨营养不良，高钙血症等）的治疗剂。
• PYRROLIDINE DERIVATIVE OR SALT THEREOF
  申请人：Astellas Pharma Inc.

  公开号：EP1882684A1

  公开（公告）日：2008-01-30

  [Problem] To provide a compound which may be used in treating diseases in which a calcium sensing receptor (CaSR) is concerned, particularly hyperparathyroidism. [Means for Resolution] It was found that novel pyrrolidine derivatives which are characterized by the possession of aminomethyl group substituted with arylalkyl group or the like, or salts thereof, have excellent CaSR agonistic regulatory activity and also have excellent selectivity with CYP2D6 inhibitory activity having a possibility of causing drug interaction. Based on the above, these novel pyrrolidine derivatives are useful as therapeutic agents for treating diseases in which CaSR is concerned (hyperparathyroidism, renal osteodystrophy, hypercalcemia and the like).

  [问题]提供一种可用于治疗钙传感受体（CaSR）相关疾病，特别是甲状旁腺机能亢进症的化合物。 [解决方法] 研究发现，新型吡咯烷衍生物（其特征在于具有被芳基烷基或类似基团取代的氨甲基）或其盐具有优异的 CaSR 激动调节活性，同时还具有优异的选择性和 CYP2D6 抑制活性，但有可能引起药物相互作用。基于以上所述，这些新型吡咯烷衍生物可作为治疗剂用于治疗与 CaSR 有关的疾病（甲状旁腺机能亢进症、肾性骨营养不良症、高钙血症等）。
• US7585886B2
  申请人：——

  公开号：US7585886B2

  公开（公告）日：2009-09-08
• [EN] DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS<br/>[FR] EVOLUTION DES MEDICAMENTS : CONCEPTION RATIONNELLE DES MEDICAMENTS AUX = POINTS CHAUDS >/=
  申请人：CA NAT RESEARCH COUNCIL

  公开号：WO2002095393A2

  公开（公告）日：2002-11-28

  A new method of designing and generating compounds having an increased probability of being drugs, drug candidates, or biologically active compounds, in particular having a therapeutic utility, is disclosed. The method consists of identifying a group of bioactive compounds, preferably of diverse therapeutic uses or biological activities and built on a common building block. In this group of compounds, side chains modifying the building block are identified and used to generate a second set of compounds according to the proposed methods of 'hybridization', 'single substitution' or 'incorporation of frequently used side chains'. If the compounds in the second set built on the same building block contain an unusually large number of drugs, preferably with diverse therapeutic uses or biological activities, they constitute a 'hot spot'. A focused combinatorial library of the 'hot spot' is then generated, preferably by methods of combinatorial chemistry, and compounds of this library are screened for a variety of therapeutic uses or biological activities. The method generates drugs, drug candidates, or biologically active compounds with a high probability, without requiring any prior knowledge of biological targets.