(3SR,4SR)-3-phenylpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (3SR,4SR)-3-phenylpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
• 英文别名: 1-tert-butyl 4-ethyl rel-(3R,4R)-3-phenylpiperidine-1,4-dicarbonate；4-ethyl 1-tert-butyl (3R*,4R*)-3-phenylpiperidine-1,4-dicarboxylate；1-(tert-Butyl) 4-ethyl (3S,4S)-3-phenylpiperidine-1,4-dicarboxylate；1-O-tert-butyl 4-O-ethyl (3S,4S)-3-phenylpiperidine-1,4-dicarboxylate
• 化学式: C₁₉H₂₇NO₄
• 分子量: 333.428
• InChiKey: RUKNPFBJQDRKIS-JKSUJKDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3SR,4SR)-3-phenylpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 ethyl rel-(3S,4S)-3-phenylpiperidine-4-carboxylate hydrochloride
  参考文献：
  名称：

  EP2085383

  摘要：

  公开号：
• 作为产物：
  描述：

  1-tert-butyl 4-ethyl rel-(3R,4S)-3-phenylpiperidine-1,4-dicarbonate 在 potassium tert-butylate 、 盐酸 作用下， 以 甲苯 、 水 为溶剂， 生成 (3SR,4SR)-3-phenylpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
  参考文献：
  名称：

  EP2085383

  摘要：

  公开号：

文献信息

• PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS
  申请人：Knust Henner

  公开号：US20100197697A1

  公开（公告）日：2010-08-05

  The present invention relates to a compounds of formula I wherein A, Ar 1 , Ar 2 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , m, n, o, p, s, t, and u are as defined herein or to a pharmaceutically active salt, a racemic mixture, an enantiomer, an optical isomer or a tautomeric form thereof. the present compounds are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).

  本发明涉及一种具有以下结构的化合物I，其中A、Ar1、Ar2、R1、R2、R3、R4、R5、R6、m、n、o、p、s、t和u如本文所定义，或者与其药效活性盐、外消旋体混合物、对映体、光学异构体或其互变异构体有关。本化合物是治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑和注意缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。
• Nitrogen-containing heterocyclic compound and use thereof
  申请人：Ikeura Yoshinori

  公开号：US20090156572A1

  公开（公告）日：2009-06-18

  The present invention relates to a compound represented by the formula wherein ring A is a nitrogen-containing heterocycle optionally further having substituent(s), ring B is an aromatic ring optionally having substituent(s), ring C is a cyclic group optionally having substituent(s), R 1 is a hydrogen atom, a hydrocarbon group optionally having substituent(s), an acyl group, a heterocyclic group optionally having substituent(s) or an amino group optionally having substituent(s), R 2 is an optionally halogenated C 1-6 alkyl group, m and n are each an integer of 0 to 5, m+n is an integer of 2 to 5, and is a single bond or a double bond, or a salt thereof and the like. Since the compound has a superior tachykinin receptor antagonistic action, and is useful as an agent for the prophylaxis or treatment of various diseases such as lower urinary tract diseases, gastrointestinal diseases, central nervous system diseases and the like.

  本发明涉及一种由下式表示的化合物：其中环A是含氮杂环，可选择地进一步具有取代基，环B是芳香环，可选择地具有取代基，环C是环状基团，可选择地具有取代基，R1是氢原子，一个碳氢基团，可选择地具有取代基，酰基，一个杂环基团，可选择地具有取代基或一个氨基团，可选择地具有取代基，R2是可选择卤代的C1-6烷基基团，m和n分别是0到5的整数，m+n是2到5的整数，是单键或双键，或其盐等。由于该化合物具有优越的催吐肽受体拮抗作用，可用作预防或治疗多种疾病的药物，如下尿道疾病、胃肠道疾病、中枢神经系统疾病等。
• 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。
• Sulfonamides and Pharmaceutical Compositions Thereof
  申请人：Estep Kimberly Gail

  公开号：US20100035865A1

  公开（公告）日：2010-02-11

  The invention is directed to a class of compounds, including the pharmaceutically acceptable salts of the compounds, having the structure of formula (I), as defined in the specification. The invention is also directed to compositions containing the compounds of formula (I).

  本发明涉及一类化合物，包括化合物的药学上可接受的盐，具有公式(I)所定义的结构，本发明还涉及含有公式(I)化合物的组合物。
• SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：Pfizer, Inc.

  公开号：EP2142505A1

  公开（公告）日：2010-01-13