methyl 3-isopropoxy-4-methylbenzoate | 865138-66-5

• 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: methyl 3-isopropoxy-4-methylbenzoate
• 英文别名: methyl 4-methyl-3-propan-2-yloxybenzoate
• CAS: 865138-66-5
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: FZTVBLUGAOJMAK-UHFFFAOYSA-N

物化性质

• 沸点：
  285.8±20.0 °C(Predicted)
• 密度：
  1.036±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-isopropoxy-4-methylbenzoate 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 sodium hydride 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.5h， 生成 methyl 4-[(3,5-diphenyl-1H-pyrazol-1-yl)methyl]-3-isopropoxybenzoate
  参考文献：
  名称：

  EP1726580

  摘要：

  公开号：
• 作为产物：
  描述：

  3-羟基-4-甲基苯甲酸甲酯 、 2-溴丙烷 在 potassium iodide potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 以96%的产率得到methyl 3-isopropoxy-4-methylbenzoate
  参考文献：
  名称：

  ALKOXYPHENYLPROPANOIC ACID DERIVATIVES

  摘要：

  公开号：

  EP1731505B1

文献信息

• Terephthalamide peptidomimetic compounds and methods
  申请人：Hamilton D. Andrew

  公开号：US20070123592A1

  公开（公告）日：2007-05-31

  The present invention relates to compounds and pharmaceutical compositions based upon terephthalamide which are proteomimetic and to methods for inhibiting the interaction of an alpha-helical protein with another protein or binding site. Methods for treating diseases or conditions which are modulated through interactions between alpha helical proteins and their binding sites are other aspects of the invention. Methods of inhibiting the binding of proteins to their binding sites are other aspects of the present invention.

  本发明涉及基于对苯二甲酰胺的化合物和制药组合物，这些化合物是蛋白质拟态的，并涉及抑制α-螺旋蛋白与另一蛋白或结合位点之间相互作用的方法。本发明的其他方面包括用于治疗通过α-螺旋蛋白与其结合位点之间相互作用调节的疾病或症状的方法。抑制蛋白质与其结合位点结合的方法也是本发明的其他方面。
• Alkoxyphenylpropanoic Acid Derivatives
  申请人：Yasuma Tsuneo

  公开号：US20070213364A1

  公开（公告）日：2007-09-13

  The present invention aims at provision of a novel compound having a GPR40 receptor function modulating action, which is useful as an insulin secretagogue, an agent for the prophylaxis or treatment of diabetes and the like. The compound represented by the formula: wherein each symbol is as defined in the description, a salt thereof, and a prodrug thereof of the present invention unexpectedly have a superior GPR40 receptor agonistic activity and superior properties as pharmaceutical products such as stability and the like, and can be safe and useful pharmaceutical agents as agents for the prophylaxis or treatment of GPR40 receptor-related pathology or diseases in mammals.

  本发明旨在提供一种新型化合物，具有GPR40受体功能调节作用，可用作胰岛素分泌剂，用于预防或治疗糖尿病等药物。本发明的化合物由以下式表示：其中每个符号如描述中所定义，其盐和其前药，意外地具有优越的GPR40受体激动活性和优越的药物特性，如稳定性等，并且可以作为安全和有用的药物代理剂，用于哺乳动物的GPR40受体相关病理或疾病的预防或治疗。
• 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。
• Aminophenylpropanoic Acid Derivative
  申请人：Yasuma Tsuneo

  公开号：US20080269220A1

  公开（公告）日：2008-10-30

  A compound represented by the formula (1): wherein each symbol is as defined in the specification, and a salt thereof and a prodrug thereof unexpectedly have superior GPR40 receptor agonist activity, superior in the properties as a pharmaceutical product such as stability and the like, and can be a safe and useful pharmaceutical agent as a drug for the prophylaxis or treatment of GPR40 receptor related pathology or diseases such as diabetes and the like.

  化合物的化学式为（1）：其中每个符号如规范所定义，其盐和前药意外地具有更优越的GPR40受体激动剂活性，在药品产品的稳定性等方面具有优越性，并且可以作为安全有效的药物用于预防或治疗GPR40受体相关的病理或疾病，例如糖尿病等。
• Alkoxyphenylpropanoic acid derivatives
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07517910B2

  公开（公告）日：2009-04-14

  The present invention aims at provision of a novel compound having a GPR40 receptor function modulating action, which is useful as an insulin secretagogue, an agent for the prophylaxis or treatment of diabetes and the like. The compound represented by the formula: wherein each symbol is as defined in the description, a salt thereof, and a prodrug thereof of the present invention unexpectedly have a superior GPR40 receptor agonistic activity and superior properties as pharmaceutical products such as stability and the like, and can be safe and useful pharmaceutical agents as agents for the prophylaxis or treatment of GPR40 receptor-related pathology or diseases in mammals.

  本发明旨在提供一种新型化合物，具有GPR40受体功能调节作用，可用作胰岛素分泌剂、预防或治疗糖尿病等药物。本发明的化合物由以下公式表示：其中每个符号如描述中所定义，其盐和前药意外地具有优越的GPR40受体激动活性和优越的药物特性，如稳定性等，并且可以作为安全有效的药物代理，用于哺乳动物的GPR40受体相关病理或疾病的预防或治疗。