3-chloro-4-([(4-nitrophenoxy)carbonyl]amino)benzoic acid methyl ester | 915390-05-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-chloro-4-([(4-nitrophenoxy)carbonyl]amino)benzoic acid methyl ester
• 英文别名: methyl 3-chloro-4-{[(4-nitrophenoxy)carbonyl]amino}benzoate；methyl 3-chloro-4-[(4-nitrophenoxy)carbonylamino]benzoate
• CAS: 915390-05-5
• 化学式: C₁₅H₁₁ClN₂O₆
• 分子量: 350.715
• InChiKey: VUWVWFCNZQHEED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-chloro-4-([(4-nitrophenoxy)carbonyl]amino)benzoic acid methyl ester 、 tert-butyl {[4-(3-fluorophenyl)piperidin-3-yl]methyl}[(1R)-1-(1-naphthyl)ethyl]carbamate 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 4-({[4-({(tert-butoxycarbonyl)[(1R)-1-(1-naphthyl)ethyl]amino}methyl)-3-(3-fluorophenyl)piperidin-1-yl]carbonyl}amino)-3-chlorobenzoate
  参考文献：
  名称：

  EP2085383

  摘要：

  公开号：
• 作为产物：
  描述：

  甲基4-氨基-3-氯化苯甲酸盐 、 对硝基苯基氯甲酸酯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 3-chloro-4-([(4-nitrophenoxy)carbonyl]amino)benzoic acid methyl 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。
• PIPERIDINE DERIVATIVE OR SALT THEREOF
  申请人：Hachiya Shunichiro

  公开号：US20100029687A1

  公开（公告）日：2010-02-04

  [Problem] To provide a compound which can be used for treating diseases in which a calcium sensing receptor (CaSR) participates, particularly hyperparathyroidism. [Means for Resolution] It was found that a novel piperidine derivative which is characterized in that one of a 3-position and a 4-position is substituted with an aminomethyl group substituted with an arylalkyl group or the like and the other position is substituted with aryl, heteroaryl or the like, or a salt thereof, has an excellent CaSR agonistic regulatory action, and also has excellent selectivity with a CYP2D6 inhibitory action having a possibility of causing drug interaction. Based on the above, this novel piperidine derivative is useful as a therapeutic agent for diseases in which CaSR participates (hyperparathyroidism, renal osteodystrophy, hypercalcemia, and the like).

  【问题】提供一种化合物，可用于治疗钙感受受体（CaSR）参与的疾病，特别是甲状旁腺功能亢进症。【解决方法】发现一种新的哌啶衍生物，其特征在于3位和4位中的一个位置被取代为含有芳基烷基等基团的氨甲基基团，另一个位置被取代为芳基、杂环芳基等，或其盐，具有出色的CaSR激动调节作用，并且具有出色的选择性，具有可能引起药物相互作用的CYP2D6抑制作用。基于以上发现，这种新的哌啶衍生物可用作治疗CaSR参与的疾病（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。
• Piperidine derivative or salt thereof
  申请人：Astellas Pharma, Inc.

  公开号：US08153658B2

  公开（公告）日：2012-04-10

  To provide a compound which can be used for treating diseases in which a calcium sensing receptor (CaSR) participates, particularly hyperparathyroidism. It was found that a novel piperidine derivative which is characterized in that one of a 3-position and a 4-position is substituted with an aminomethyl group substituted with an arylalkyl group or the like and the other position is substituted with aryl, heteroaryl or the like, or a salt thereof, has an excellent CaSR agonistic regulatory action, and also has excellent selectivity with a CYP2D6 inhibitory action having a possibility of causing drug interaction. Based on the above, this novel piperidine derivative is useful as a therapeutic agent for diseases in which CaSR participates (hyperparathyroidism, renal osteodystrophy, hypercalcemia, and the like).

  提供一种可以用于治疗钙感受受体（CaSR）参与的疾病，特别是甲状旁腺功能亢进症的化合物。发现一种新的哌啶衍生物，其特征在于3位和4位之一被取代为氨甲基基团，该氨甲基基团被取代为芳基烷基基团或类似物，另一位置被取代为芳基，杂环芳基或类似物，或其盐，具有出色的CaSR激动调节作用，并且具有出色的选择性，具有可能引起药物相互作用的CYP2D6抑制作用。基于以上发现，这种新的哌啶衍生物可用作治疗CaSR参与的疾病（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）。
• PIPERIDINE DERIVATIVES OR SALTS THEREOF
  申请人：Astellas Pharma Inc.

  公开号：EP2085383A1

  公开（公告）日：2009-08-05

  [Problem] To provide a compound which can be used for treating diseases in which a calcium sensing receptor (CaSR) participates, particularly hyperparathyroidism. [Means for Resolution] It was found that a novel piperidine derivative which is characterized in that one of a 3-position and a 4-position is substituted with an aminomethyl group substituted with an arylalkyl group or the like and the other position is substituted with aryl, heteroaryl or the like, or a salt thereof, has an excellent CaSR agonistic regulatory action, and also has excellent selectivity with a CYP2D6 inhibitory action having a possibility of causing drug interaction. Based on the above, this novel piperidine derivative is useful as a therapeutic agent for diseases in which CaSR participates (hyperparathyroidism, renal osteodystrophy, hypercalcemia, and the like).

  [问题]提供一种可用于治疗钙传感受体（CaSR）参与的疾病，特别是甲状旁腺机能亢进的化合物。 [解决方法]发现一种新型哌啶衍生物，其特征在于 3 位和 4 位中的一个被氨甲基取代，另一个被芳基、杂芳基等取代，或其盐具有极好的 CaSR 激动调节作用，同时还具有极好的选择性，具有 CYP2D6 抑制作用，但有可能引起药物相互作用。基于以上所述，这种新型哌啶衍生物可作为治疗剂用于治疗 CaSR 参与的疾病（甲状旁腺功能亢进症、肾性骨营养不良症、高钙血症等）。