(3R)-1-Ethyl-3-piperidinecarboxylic acid | 1141826-57-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (3R)-1-Ethyl-3-piperidinecarboxylic acid
• 英文别名: (3R)-1-ethylpiperidine-3-carboxylic acid
• CAS: 1141826-57-4
• 化学式: C₈H₁₅NO₂
• 分子量: 157.213
• InChiKey: AUAARCSKNLPQTM-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  哌嗪 、 (3R)-1-Ethyl-3-piperidinecarboxylic acid 在 N-甲基吗啉 、 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 作用下， 以 二氯甲烷 为溶剂， 生成 [(3R)-1-ethylpiperidin-3-yl]-piperazin-1-ylmethanone
  参考文献：
  名称：

  The design and synthesis of novel, potent and orally bioavailable N-aryl piperazine-1-carboxamide CCR2 antagonists with very high hERG selectivity

  摘要：

  A novel N-aryl piperazine-1-carboxamide series of human CCR2 chemokine receptor antagonists was discovered. Early analogues were potent at CCR2 but also inhibited the hERG cardiac ion channel. Structural modifications which decreased lipophilicity and basicity resulted in the identification of a sub-series with an improved margin over hERG. The pharmacological and pharmacokinetic properties of the lead compound from this series, N-(3,4-dichlorophenyl)-4-[(2R)-4-isopropylpiperazine-2-carbonyl]piperazine-1-carboxamide, are described. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.118
• 作为产物：
  描述：

  碘乙烷 、 (R)-(-)-哌啶-3-甲酸 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 生成 (3R)-1-Ethyl-3-piperidinecarboxylic acid
  参考文献：
  名称：

  The design and synthesis of novel, potent and orally bioavailable N-aryl piperazine-1-carboxamide CCR2 antagonists with very high hERG selectivity

  摘要：

  A novel N-aryl piperazine-1-carboxamide series of human CCR2 chemokine receptor antagonists was discovered. Early analogues were potent at CCR2 but also inhibited the hERG cardiac ion channel. Structural modifications which decreased lipophilicity and basicity resulted in the identification of a sub-series with an improved margin over hERG. The pharmacological and pharmacokinetic properties of the lead compound from this series, N-(3,4-dichlorophenyl)-4-[(2R)-4-isopropylpiperazine-2-carbonyl]piperazine-1-carboxamide, are described. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.118

文献信息

• [EN] MICROSOMAL PROSTAGLANDIN E SYNTASE-1 INHIBITORS<br/>[FR] INHIBITEURS MICROSOMAUX DE LA PROSTAGLANDINE E SYNTHASE-1
  申请人：CONVERGENCE PHARMACEUTICALS

  公开号：WO2011131975A1

  公开（公告）日：2011-10-27

  This invention relates to piperidine derivatives, to processes for their preparation, to pharmaceutical compositions containing them and to their use in medicine.

  这项发明涉及哌啶衍生物，涉及它们的制备过程，含有它们的药物组合物以及它们在医学上的用途。
• Therapeutic Compounds
  申请人：Brown William

  公开号：US20110086853A1

  公开（公告）日：2011-04-14

  Compounds of formula I or pharmaceutically acceptable salts thereof: wherein R 1 , R 2 , R 3 and R 4 are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  式I的化合物或其药用可接受的盐：其中R1、R2、R3和R4如说明书中定义的那样，以及包括这些化合物的盐和药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理中。
• [EN] SPIROPYRROLIDINES AND THEIR USE AGAINST HCV AND HIV INFECTION<br/>[FR] COMPOSÉS ORGANIQUES ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2009047264A1

  公开（公告）日：2009-04-16

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of human diseases.

  本申请描述了对治疗、预防和/或改善人类疾病有用的有机化合物。
• Process for the preparation of Linagliptin
  申请人：Dipharma Francis S.r.l.

  公开号：EP2468749A1

  公开（公告）日：2012-06-27

  The present invention relates to processes for the preparation of 8-(3R)-3-aminopiperidinyl)-7-butyn-2-yl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione and novel intermediates useful in its synthesis.

  本发明涉及用于制备8-(3R)-3-氨基哌啶基)-7-丁炔-2-基-3-甲基-1-(4-甲基喹唑啉-2-基甲基)-3,7-二氢嘧啶-2,6-二酮的过程，以及在其合成中有用的新型中间体。
• PROCESS FOR THE PREPARATION OF LINAGLIPTIN
  申请人：ALLEGRINI Pietro

  公开号：US20120165525A1

  公开（公告）日：2012-06-28

  The present invention relates to processes for the preparation of 8-(3R)-3-aminopiperidinyl)-7-butyn-2-yl-3 -methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione and novel intermediates useful in its synthesis.

  本发明涉及制备8-(3R)-3-氨基哌啶基)-7-丁炔-2-基-3-甲基-1-(4-甲基喹唑啉-2-基甲基)-3,7-二氢嘧啶-2,6-二酮的方法以及在其合成中有用的新型中间体。