6-ethoxy-5,5-dimethyl-6-oxohexanoic acid | 915389-90-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-ethoxy-5,5-dimethyl-6-oxohexanoic acid
• 英文别名: 6-Ethoxy-5,5-dimethyl-6-oxohexanoic acid
• CAS: 915389-90-1
• 化学式: C₁₀H₁₈O₄
• 分子量: 202.251
• InChiKey: BWNQFYZKNBXYSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 2,2-dimethyl-6-hydroxy-hexanoate 在 sodium chlorite 、 potassium dihydrogenphosphate 、 草酰氯 、 二甲基亚砜 作用下， 以 2-甲基-2-丁烯 、 dimethylpropanol, 2,2- 、 二氯甲烷 、 水 为溶剂， 反应 1.75h， 生成 6-ethoxy-5,5-dimethyl-6-oxohexanoic acid
  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。
• OPTICALLY ACTIVE ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME
  申请人：MITSUBISHI RAYON CO., LTD.

  公开号：EP0765857A1

  公开（公告）日：1997-04-02

  The present invention relates to an optically active α-substituted carboxylic acid derivative represented by the general formula (I):    (wherein R1 is a hydroxyl group,    R2 is a methyl group or a chlorine atom; R3 is a hydrogen atom or an alkyl group with 1-6 carbon atoms; n is an integer of 1 or 2; and * represents an asymmetric carbon atom, provided that R2 is a chlorine atom when R1 is a hydroxyl group); and a method for producing the optically active α-substituted carboxylic acid derivative represented by the general formula (I) and antipodes thereof using a culture, cells or a material obtainable from cells of a microorganism having an ability to asymmetrically hydrolyze ester bonds. The optically active α-substituted carboxylic acid derivatives and antipodes thereof provided by the invention are useful as raw materials for various liquid crystals and as synthetic intermediates for various optically active medicines or agricultural chemicals.

  本发明涉及一种具有光学活性的α-取代的羧酸衍生物，由通式(I)代表： (其中 R1 是羟基、 R2为甲基或氯原子；R3为氢原子或含有1-6个碳原子的烷基；n为1或2的整数；*代表不对称碳原子，但当R1为羟基时，R2为氯原子)； 以及一种利用具有不对称水解酯键能力的微生物的培养物、细胞或可从细胞获得的材料生产通式（I）代表的光学活性α-取代的羧酸衍生物及其反式的方法。本发明提供的具有光学活性的 α-取代羧酸衍生物及其对映体可用作各种液晶的原料和各种具有光学活性的药物或农药的合成中间体。
• 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）。
• PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES
  申请人：Mitsubishi Rayon Co., Ltd.

  公开号：EP0765857B1

  公开（公告）日：1999-12-08
• US5773240A
  申请人：——

  公开号：US5773240A

  公开（公告）日：1998-06-30