2-丁胺,1-(3-乙基-5-甲基苯氧基)-3-甲基- | 874383-40-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2-丁胺,1-(3-乙基-5-甲基苯氧基)-3-甲基-
• 英文名称: 1-(3-hdroxymethylpiperidin-1-yl)propan-1-one
• 英文别名: 1-[3-(Hydroxymethyl)piperidin-1-yl]propan-1-one
• CAS: 874383-40-1
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: VATXPRRRCRVZLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-丁胺,1-(3-乙基-5-甲基苯氧基)-3-甲基- 在 potassium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 cis-4-amino-5-chloro-N-(1-((1-propionylpiperidin-3-yl)methyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide
  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：

  3-哌啶甲醇 、 丙酰氯 在 sodium hydroxide 作用下， 以 乙醚 、 水 为溶剂， 反应 3.0h， 以87%的产率得到2-丁胺,1-(3-乙基-5-甲基苯氧基)-3-甲基-
  参考文献：
  名称：

  EP1772454

  摘要：

  公开号：

文献信息

• Nitrogenous Fused Bicyclic Compound
  申请人：Takamuro Iwao

  公开号：US20080081817A1

  公开（公告）日：2008-04-03

  A novel nitrogenous fused bicyclic compound represented by the following general formula [1] or a pharmacologically acceptable salt of the compound. They have excellent SK channel blocking activity and are useful as a medicine. [I] (In the formula, R 0 represents hydrogen, halogeno, etc.; R 1 represents a group represented by the formula (a) or (b); A represents a group represented by the formula (X) or (Y); D 1 , D 2 and D 3 each represents N or CH; R 2 represents halogeno or optionally halogenated lower alkyl, etc.; R 3 represents hydrogen or lower alkyl; and Q represents lower alkylene.)

  下面是一种新型的含氮融合双环化合物，其通式如下[1]，或其药理学上可接受的盐。它们具有出色的SK通道阻滞活性，是一种有用的药物。[I]（在公式中，R0代表氢，卤素等; R1代表由公式（a）或（b）表示的基团; A代表由公式（X）或（Y）表示的基团; D1，D2和D3分别表示N或CH; R2代表卤素或可选卤代的低碳基等; R3代表氢或低碳基; Q代表低碳链基）。
• Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors
  申请人：Molteni Valentina

  公开号：US20070149538A1

  公开（公告）日：2007-06-28

  Described herein are compounds that include a diarylamine structural feature. Also described herein are methods for making such compounds, methods for using such compounds to modulate the activity of c-kit receptors, and pharmaceutical compositions and medicaments comprising such compounds. Also described herein are methods of using such compounds, pharmaceutical compositions and medicaments to treat and/or prevent and/or inhibit and/or ameliorate the pathology and/or symptomology diseases or conditions associated with the activity of c-kit receptors.

  本文描述了包含二芳胺结构特征的化合物。还描述了制备这种化合物的方法，使用这种化合物调节c-kit受体活性的方法，以及包含这种化合物的药物组合物和药物。本文还描述了使用这种化合物、药物组合物和药物治疗和/或预防和/或抑制和/或改善与c-kit受体活性相关的病理学和/或症状学疾病或状况的方法。
• DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS
  申请人：Molteni Valentina

  公开号：US20080139559A1

  公开（公告）日：2008-06-12

  Described herein are compounds that include a diarylamine structural feature. Also described herein are methods for making such compounds, methods for using such compounds to modulate the activity of c-kit receptors, and pharmaceutical compositions and medicaments comprising such compounds. Also described herein are methods of using such compounds, pharmaceutical compositions and medicaments to treat and/or prevent and/or inhibit and/or ameliorate the pathology and/or symptomology diseases or conditions associated with the activity of c-kit receptors.

  本文描述了包含二芳胺结构特征的化合物。还描述了制备这种化合物的方法，使用这种化合物调节c-kit受体活性的方法，以及包含这种化合物的药物组合物和药物。还描述了使用这种化合物、药物组合物和药物治疗和/或预防和/或抑制和/或改善与c-kit受体活性相关的病理和/或症状性疾病或状况的方法。
• 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES
  申请人：Aspnes Gary E.

  公开号：US20100204119A1

  公开（公告）日：2010-08-12

  The invention provides compounds of Formula (I), wherein R 1 , R 2a , R 2b , R 3 , m and A are as defined herein, as well as compositions thereof and methods for treating a disease, condition or disorder that is modulated by the inhibition of the diacylglycerol O-acyltransferase 1 (DGAT-1) enzyme by administering the compounds of the present invention and/or compositions thereof.

  本发明提供了式（I）的化合物，其中R1，R2a，R2b，R3，m和A如本文所定义，以及它们的组合物和通过给予本发明的化合物和/或组合物来抑制二酰甘油O-酰基转移酶1（DGAT-1）酶而治疗受DGAT-1调节的疾病，情况或紊乱的方法。
• PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS
  申请人：Genentech, Inc.

  公开号：US20150152117A1

  公开（公告）日：2015-06-04

  A compound of Formula I, enantiomers, diasteriomers, tautomers or pharmaceutically acceptable salts thereof, wherein R 1 , R 2 and R 3 are defined herein, are useful as inhibitors of one or more Janus kinases. A pharmaceutical composition that includes a compound of Formula I and a pharmaceutically acceptable carrier, adjuvant or vehicle, and methods of treating or lessening the severity of a disease or condition responsive to the inhibition of a Janus kinase activity in a patient are disclosed.

  公式I的化合物、对映异构体、二对映异构体、互变异构体或其药学上可接受的盐，其中R1、R2和R3如本文所定义，可用作一个或多个Janus激酶的抑制剂。本发明还涉及一种包括公式I化合物和药学上可接受的载体、辅料或溶剂的制药组合物，以及治疗或减轻患者对Janus激酶活性抑制有反应的疾病或病情的方法。