4-hydroxymethyl-piperidine-1-carboxylic acid isopropylamide | 1061458-92-1

• 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: 4-hydroxymethyl-piperidine-1-carboxylic acid isopropylamide
• 英文别名: 4-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide
• CAS: 1061458-92-1
• 化学式: C₁₀H₂₀N₂O₂
• 分子量: 200.281
• InChiKey: SOCWQNHWNUYVJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  397.5±11.0 °C(Predicted)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-hydroxymethyl-piperidine-1-carboxylic acid isopropylamide 在 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 、 三苯基膦 、 potassium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 4-(cis-4-(4-amino-5-chloro-2-methoxybenzoylamino)-3-methoxy-piperidin-1-ylmethyl)-piperidine-1-carboxylic acid isopropylamide
  参考文献：
  名称：

  Discovery and SAR of N-(1-((substituted piperidin-4-yl)methyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide derivatives: 5-Hydroxytryptamine receptor 4 agonist as a potent prokinetic agent

  摘要：

  A series of novel benzamide derivatives, altering the 4-fluorophenylalkyl moiety in cisapride, were synthesized as 5-HT4 receptor agonists, and SAR of these analogs was examined on in vitro and in vivo prokinetic activities. These compounds were synthesized for high 5-HT4 receptor binding affinities and low hERG affinities. Several types of analogs were obtained and screened for 5-HT4 binding, hERG blocking, agonism, and gastric emptying assessment. Among the analogues, compound 23g showed promising results compared with the other analogs with respect to gastric emptying rates in rats. Therefore, we suggest that it may be a clinical candidate for the development of a potent prokinetic agent to treat GI disorders. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.12.006
• 作为产物：
  描述：

  4-哌啶甲醇 、 异氰酸异丙酯 在 二氯甲烷 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以to afford 3.48 g (100%) of the title compound的产率得到4-hydroxymethyl-piperidine-1-carboxylic acid isopropylamide
  参考文献：
  名称：

  NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF

  摘要：

  本发明提供了一种新的苯甲酰胺衍生物，其代表式为1，并提供了其异构体、药学上可接受的盐或水合物，以及包含其作为活性成分的激活5-HT4受体的组合物。本发明的苯甲酰胺衍生物具有优异的5-HT4受体亲和力，能够减少胃排空时间，缓解室性心动过速、室性纤维颤动、扭转性室性心动过速和QT间期延长，并且毒性低。因此，本发明的苯甲酰胺衍生物在治疗消化系统疾病方面具有治疗效果。

  公开号：

  US20100105727A1

文献信息

• [EN] AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON<br/>[FR] COMPOSÉS D'AMINO-PYRIMIDINE EN TANT QU'INHIBITEURS DE TBKL ET OU D'IKK EPSILON
  申请人：MYREXIS INC

  公开号：WO2011046970A1

  公开（公告）日：2011-04-21

  The invention relates to certain amino-pyrimidine compounds which inhibit TBK1 and/or IKK epsilon and which may therefore find application in treating inflammation, cancer, septic shock and/or Primary open Angle Glaucoma (POAG).

  这项发明涉及抑制TBK1和/或IKK epsilon的某些氨基嘧啶化合物，因此可能在治疗炎症、癌症、感染性休克和/或原发性开角青光眼（POAG）中找到应用。
• AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1
  申请人：HOLCOMB Ryan C.

  公开号：US20120238540A1

  公开（公告）日：2012-09-20

  The invention relates to certain amino-pyrimidine compounds that inhibit IKK epsilon and/or TBK1, methods of making such compounds, pharmaceutical compositions comprising such compounds, and the use of these compounds in treating a variety of diseases and disorders.

  本发明涉及一些氨基嘧啶化合物，可抑制IKK epsilon和/或TBK1，制备这种化合物的方法，包含这种化合物的药物组合物，以及在治疗各种疾病和疾病失调中使用这些化合物的方法。
• AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON
  申请人：Alzheimer's Institute of America

  公开号：US20150352108A1

  公开（公告）日：2015-12-10

  The invention relates to certain amino-pyrimidine compounds which inhibit TBK1 and/or IKK epsilon and which may therefore find application in treating inflammation, cancer, septic shock and/or Primary open Angle Glaucoma (POAG).

  该发明涉及某些氨基嘧啶化合物，其抑制TBK1和/或IKK epsilon，因此可能在治疗炎症、癌症、感染性休克和/或原发性开角青光眼（POAG）方面找到应用。
• Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors
  申请人：Orion Corporation

  公开号：US10717726B2

  公开（公告）日：2020-07-21

  Compounds of formula (I) wherein R1, R2, R3, R4, R5, R23, R24, L, A and B are as defined in claim 1, or pharmaceutically acceptable salts thereof are disclosed. The compounds of formula (I) possess utility as cytochrome P450 monooxygenase 11A1 (CYP11A1) inhibitors. The compounds are useful as medicaments in the treatment of steroid receptor, particularly androgen receptor, dependent diseases and conditions, such as prostate cancer.

  式(I)化合物 其中 R1、R2、R3、R4、R5、R23、R24、L、A 和 B 如权利要求 1 所定义，或公开了其药学上可接受的盐。式（I）化合物具有细胞色素 P450 单氧化酶 11A1 (CYP11A1) 抑制剂的作用。这些化合物可用作治疗类固醇受体，特别是雄激素受体依赖性疾病和病症，如前列腺癌的药物。
• WO2008/114971
  申请人：——

  公开号：——

  公开（公告）日：——