1-(cyclohexylmethyl)piperidine-4-carboxamide | 148703-18-8

• 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: 1-(cyclohexylmethyl)piperidine-4-carboxamide
• 英文别名: 1-(Cyclohexylmethyl)-4-piperidinecarboxamide
• CAS: 148703-18-8
• 化学式: C₁₃H₂₄N₂O
• mdl: MFCD01452830
• 分子量: 224.346
• InChiKey: AETBEQZQPPCSBI-UHFFFAOYSA-N

物化性质

• 沸点：
  388.4±31.0 °C(Predicted)
• 密度：
  1.038±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.923
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(cyclohexylmethyl)piperidine-4-carboxamide 在 [双(三氟乙酰氧基)碘]苯 作用下， 以 水 、 乙腈 为溶剂， 生成 1-(环己基甲基)哌啶-4-胺
  参考文献：
  名称：

  THE DESIGN AND SYNTHESIS OF PURINE INHIBITORS OF CDK2. III

  摘要：

  Cyclin-dependent kinases (CDKs) belong to a class of enzymes that control the ability of a cell to enter into and proceed through the cell division cycle. Using purine as a scaffold, we have synthesized a number of nanomolar inhibitors of CDK-2/cyclin E. In this report, the synthesis of a series of piperidine-substituted purine analogs will be presented, as well as some of their in vitro and in vivo biological effects.

  DOI：

  10.1081/ncn-100002493
• 作为产物：
  描述：

  哌啶-4-甲酰胺 、 溴甲基环己烷 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以93%的产率得到1-(cyclohexylmethyl)piperidine-4-carboxamide
  参考文献：
  名称：

  Synthesis and evaluation of novel serotonin 4 receptor radiotracers for single photon emission computed tomography

  摘要：

  Despite its implication in several physiological and pathological processes the serotonin subtype-4 receptor (5-HT4R) has seen limited effort for the development of radiolabeling agent especially concerning single photon emission computed tomography (SPECT). Bearing an ester function, the available ligands are rapidly susceptible to hydrolysis which limits their use in vivo. In this study the synthesis of iodinated benzamide and ketone analogs were described. Their affinity for the 5-HT4R and their lipophilicity were evaluated and the most promising derivatives were evaluated ex vivo for their binding to the receptor and for their ability to displace the reference ligand [I-125]-SB207710. (C) 2016 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.03.059

文献信息

• THE DESIGN AND SYNTHESIS OF PURINE INHIBITORS OF CDK2. III
  作者：P. W. Shum、N. P. Peet、P. M. Weintraub、T. B. Le、Z. Zhao、F. Barbone、B. Cashman、J. Tsay、S. Dwyer、P. C. Loos、E. A. Powers、K. Kropp、P. S. Wright、A. Bitonti、J. Dumont、D. R. Borcherding

  DOI：10.1081/ncn-100002493

  日期：2001.3.31

  Cyclin-dependent kinases (CDKs) belong to a class of enzymes that control the ability of a cell to enter into and proceed through the cell division cycle. Using purine as a scaffold, we have synthesized a number of nanomolar inhibitors of CDK-2/cyclin E. In this report, the synthesis of a series of piperidine-substituted purine analogs will be presented, as well as some of their in vitro and in vivo biological effects.
• Synthesis and evaluation of novel serotonin 4 receptor radiotracers for single photon emission computed tomography
  作者：Julien Lalut、Benjamin B. Tournier、Thomas Cailly、Cédric Lecoutey、Sophie Corvaisier、Audrey Davis、Céline Ballandonne、Marc Since、Philippe Millet、Frédéric Fabis、Patrick Dallemagne、Christophe Rochais

  DOI：10.1016/j.ejmech.2016.03.059

  日期：2016.6

  Despite its implication in several physiological and pathological processes the serotonin subtype-4 receptor (5-HT4R) has seen limited effort for the development of radiolabeling agent especially concerning single photon emission computed tomography (SPECT). Bearing an ester function, the available ligands are rapidly susceptible to hydrolysis which limits their use in vivo. In this study the synthesis of iodinated benzamide and ketone analogs were described. Their affinity for the 5-HT4R and their lipophilicity were evaluated and the most promising derivatives were evaluated ex vivo for their binding to the receptor and for their ability to displace the reference ligand [I-125]-SB207710. (C) 2016 Elsevier Masson SAS. All rights reserved.