3-ethylpiperidine-3-carboxylic acid ethyl ester | 170843-44-4

• 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: 3-ethylpiperidine-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 3-ethylpiperidine-3-carboxylate
• CAS: 170843-44-4
• 化学式: C₁₀H₁₉NO₂
• 分子量: 185.266
• InChiKey: KUGKXJWUQADYCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-ethylpiperidine-3-carboxylic acid ethyl ester 在 叠氮磷酸二苯酯 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 甲苯 为溶剂， 反应 74.0h， 生成
  参考文献：
  名称：

  2-({6-[(3R)-3-amino-3-methylpiperidine-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidine-5-yl}methyl)-4-fluorobenzonitrile (DSR-12727): A potent, orally active dipeptidyl peptidase IV inhibitor without mechanism-based inactivation of CYP3A

  摘要：

  Wereport on the identification of 2-({6-[(3R)-3-amino-3-methylpiperidine-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4- tetrahydro-5H-pyrrolo[3,2-d] pyrimidine-5-yl}methyl)-4-fluorobenzonitrile (DSR-12727) (7a) as a potent and orally active DPP-4 inhibitor without mechanism-based inactivation of CYP3A. Compound 7a showed good DPP-4 inhibitory activity (IC50 = 1.1 nM), excellent selectivity against related peptidases and other off-targets, good pharmacokinetic and pharmacodynamic profile, great in vivo efficacy in Zucker-fatty rat, and no safety concerns both in vitro and in vivo. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.042
• 作为产物：
  描述：

  3-ethylpiperidine-3-carboxylic acid ethyl ester hydrochloride 在 sodium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 3-ethylpiperidine-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  [EN] PROCESS FOR THE SEPARATION OF OPTICAL ISOMERS OF RACEMIC 3-ALKYLPIPERIDINE-CARBOXYLIC ACID ETHYL ESTERS
  [FR] PROCÉDÉ DE SÉPARATION D'ISOMÈRES OPTIQUES D'ESTERS ÉTHYLIQUES DE L'ACIDE 3-ALKYLPIPÉRIDINE-CARBOXYLIQUE RACÉMIQUE

  摘要：

  本发明的主题是一种用分离剂(II)(-)-2,3:4,5-二-O-异丙基-2-酮基-L-古龙酸(以下简称二丙酮-L-酮古龙酸)分离光学异构体的Formula rac-I的3-烷基哌啶-3-羧酸乙酯的过程。

  公开号：

  WO2018167631A1

文献信息

• 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE
  申请人：Nagase Tsuyoshi

  公开号：US20120232109A1

  公开（公告）日：2012-09-13

  [Problem] There is provided a compound useful as a preventive or remedy for cardiovascular disease, neurologic disease, metabolic disease, reproductive disease, and digestive disease. [Means for Resolution] A compound or a pharmaceutically acceptable salt thereof represented by the following Formula (I) wherein Z represents wherein n1, n2, and n3 are 0, 1, or 2, respectively; R 1 represents C 1-6 alkyl, C 3-8 cycloalkyl, or the like; R 2 represents aryl or heteroaryl; R 3 represents a hydrogen atom, C 1-6 alkyl, or the like; and M 1 , M 2 , M 3 , and M 4 independently represent a hydrogen atom, C 1-6 alkyl, or the like, or M 1 , together with M 2 , M 3 , or M 4 , forms —CH 2 — or the like.

  [问题] 提供了一种化合物，可用作预防或治疗心血管疾病、神经疾病、代谢性疾病、生殖疾病和消化疾病的药物。[解决方法] 化合物或其药学上可接受的盐，由以下式（I）所表示的化合物其中Z表示其中n1、n2和n3分别为0、1或2；R1表示C1-6烷基、C3-8环烷基或类似物；R2表示芳基或杂环芳基；R3表示氢原子、C1-6烷基或类似物；M1、M2、M3和M4分别独立地表示氢原子、C1-6烷基或类似物，或M1与M2、M3或M4一起形成-CH2-或类似物。
• Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives
  申请人：RICHTER GEDEON NYRT.

  公开号：US10960007B2

  公开（公告）日：2021-03-30

  The present invention relates to new pyrazolo[1,5-a]pyrimidine derivatives of formula (I) or pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof that serve as GABAB receptor positive allosteric modulators. The invention also relates to the process for producing such compounds. The invention further relates to pharmaceutical compositions comprising such compounds optionally in combination with two or more different therapeutic agents and the use of such compounds in methods for treating diseases and conditions mediated and modulated by the GABAB receptor positive allosteric mechanism. The invention also provides a method for manufacture of medicaments useful in the treatment of such disorders.

  本发明涉及新的式（I）吡唑并[1,5-a]嘧啶衍生物或其药学上可接受的盐、生物活性代谢物、原药、外消旋体、对映体、非对映异构体、溶液和水合物，可作为 GABAB 受体正异位调节剂。本发明还涉及生产此类化合物的工艺。本发明进一步涉及包含此类化合物的药物组合物（可选择与两种或两种以上不同的治疗剂组合），以及此类化合物在治疗由 GABAB 受体正性异位调节机制介导和调节的疾病和病症的方法中的用途。本发明还提供了一种用于治疗此类疾病的药物的制造方法。
• Pharmacologically active alicyclic-substituted pyrazolo[1,5-a]pyrimidine derivatives
  申请人：RICHTER GEDEON NYRT.

  公开号：US11026946B2

  公开（公告）日：2021-06-08

  The present invention relates to new pyrazolo[1,5-a]pyrimidine derivatives of formula (I) or pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof that serve as GABAB receptor positive allosteric modulators. The invention al so relates to the process for producing such compounds. The invention further relates to pharmaceutical compositions comprising such compounds optionally in combination with two or more different therapeutic agents and the use of such compounds in methods for treating diseases and conditions mediated and modulated by the GABAB receptor positive allosteric mechanism. The invention al so provides a method for manufacture of medicaments useful in the treatment of such disorders.

  本发明涉及可作为 GABAB 受体正异位调节剂的新的式 (I) 吡唑并[1,5-a]嘧啶衍生物或其药学上可接受的盐、生物活性代谢物、原药、外消旋体、对映体、非对映异构体、溶液和水合物。本发明还涉及生产此类化合物的工艺。本发明还涉及包含此类化合物的药物组合物（可选择与两种或两种以上不同的治疗剂组合），以及此类化合物在治疗由 GABAB 受体正性异位调节机制介导和调节的疾病和病症的方法中的用途。本发明还提供了一种用于治疗此类疾病的药物的制造方法。
• 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE
  申请人：MSD K.K.

  公开号：EP2261210B1

  公开（公告）日：2014-10-22
• Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives
  申请人：RICHTER GEDEON NYRT.

  公开号：US20200061068A1

  公开（公告）日：2020-02-27

  The present invention relates to new pyrazolo[1,5-a]pyrimidine derivatives of formula (I) or pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof that serve as GABA B receptor positive allosteric modulators. The invention also relates to the process for producing such compounds. The invention further relates to pharmaceutical compositions comprising such compounds optionally in combination with two or more different therapeutic agents and the use of such compounds in methods for treating diseases and conditions mediated and modulated by the GABA B receptor positive allosteric mechanism. The invention also provides a method for manufacture of medicaments useful in the treatment of such disorders.