3-[4-(2-甲基苯基)哌嗪-1-基]丙酰胺 | 61015-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3-[4-(2-甲基苯基)哌嗪-1-基]丙酰胺
• 英文名称: 3-(4-o-tolyl-piperazin-1-yl)-propionamide
• 英文别名: 3-(4-o-tolyl-piperazino)-propionic acid amide；3-(4-o-Tolyl-piperazino)-propionsaeure-amid；3-[4-(2-Methylphenyl)piperazin-1-yl]propanamide
• CAS: 61015-47-2
• 化学式: C₁₄H₂₁N₃O
• 分子量: 247.34
• InChiKey: QPSYPRLUIUGIFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-[4-(2-甲基苯基)哌嗪-1-基]丙腈 在 硫酸 作用下， 生成 3-[4-(2-甲基苯基)哌嗪-1-基]丙酰胺
  参考文献：
  名称：

  Derivatives of Piperazine. XXIII. Addition of 1-Arylpiperazines to α,β-Unsaturated Nitriles and Esters

  摘要：

  DOI：

  10.1021/ja01108a059

文献信息

• AZOLECARBOXAMIDE DERIVATIVE
  申请人：Sugasawa Keizo

  公开号：US20090286766A1

  公开（公告）日：2009-11-19

  Provided is an agent for treating or preventing urinary frequency, urinary urgency and urinary, incontinence which are associated with overactive bladder, a lower urinary tract disease such as interstitial cystitis and chronic prostatitis accompanied by lower urinary tract pain, and various diseases accompanied by pain. A novel azolecarboxamide derivative in which an azole ring such as thioazole or oxazole is bonded to a benzene ring, pyridine ring or pyrimidine ring through carboxamide was confirmed to have a potent trkA receptor-inhibitory activity and found to be an agent for treating or preventing lower urinary tract disease and various diseases accompanied by pain, which is excellent in efficacy and safety, and thus the present invention was accomplished.

  提供了一种用于治疗或预防与过度活跃膀胱、下泌尿道疾病（如间质性膀胱炎和慢性前列腺炎伴随下泌尿道疼痛）以及伴随疼痛的各种疾病相关的尿频、尿急和尿失禁的药剂。一种新型的唑烷羧酰胺衍生物，其中唑环（如硫唑环或噁唑环）通过羧酰胺键连接到苯环、吡啶环或嘧啶环上，被证实具有强效的trkA受体抑制活性，并被发现是一种用于治疗或预防下泌尿道疾病和伴随疼痛的各种疾病的药剂，其疗效和安全性优异，因此本发明得以完成。
• US8163746B2
  申请人：——

  公开号：US8163746B2

  公开（公告）日：2012-04-24
• [EN] SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM
  申请人：——

  公开号：WO1984004302A1

  公开（公告）日：1984-11-08

  (EN) Substituted picolinic acids of the general formula (I), wherein R1 denotes alkyl with 1 to 7 carbon atoms - but not butyl if R2 and R3 denote alkyl and X denotes NH -, cycloalkylalkyl with 3 to 7 carbon atoms in the cycloalkyl part and 1 to 4 carbon atoms in the alkylene part, phenyl or substituted phenyl with up to three substituents from the group comprising halogen, hydroxyl, alkyl with 1 to 4 carbon atoms and alkoxy with 1 to 4 carbon atoms, R2 denotes alkyl with 1 to 4 carbon atoms or alkenyl with 3 to 5 carbon atoms and R3 denotes alkyl with 1 to 4 carbon atoms or alkenyl with 3 to 5 carbon atoms, or R2 and R3 together, and including the nitrogen atom to which they are bonded, denote pyrrolidino, morpholino, piperidino, hexahydroazepino, or 1-piperazinyl which is substituted in the 4-position by R4, R4 denotes hydrogen, alkyl with 1 to 4 carbon atoms, phenyl, benzyl or substituted phenyl with up to three substituents from the group comprising halogen, hydroxyl, alkyl with 1 to 4 carbon atoms and alkoxy with 1 to 4 carbon atoms, A denotes straight-chain or branched alkylene with 1 to 5 carbon atoms and X denotes O (oxygen) or NH, and the acid addition salts of these compounds, R1, R2 and R3 not simultaneously denoting alkyl if X represents O (oxygen) and A represents ethylene, are new compounds with a hypotensive activity. Processes for the preparation of these compounds are described. (FR) Acides picoliniques substitués correspondant à la formule générale (I), où R1 dénote un alkyle comportant de 1 à 7 atomes de carbone - mais non pas de butyle si R2 et R3 dénotent un alkyle et X dénote NH -, un cycloalkylalkyle comportant de 3 à 7 atomes de carbone dans la partie cycloalkyle et 1 à 4 atomes de carbone dans la partie alkylène, un phényle ou phényle substitué comportant jusqu"à trois substituants sélectionnés dans le groupe comprenant un halogène, un hydroxyle, un alkyle comportant de 1 à 4 atomes de carbone et un alcoxy comportant de 1 à 4 atomes de carbone, R2 dénote un alkyle comportant de 1 à 4 atomes de carbone ou un alkényle comportant de 3 à 5 atomes de carbone et R3 dénote un alkyle comportant de 1 à 4 atomes de carbone ou un alkényle comportant de 3 à 5 atomes de carbone, ou R2 et R3 ensemble, y compris l"atome d"azote auquel ils sont liés, dénotent un pyrrolidino, un morpholino, un piperidino, un hexahydroazepino, ou du 1-piperazynyle qui est substitué en position 4 par R4, R4 dénote l"hydrogène, un alkyle comportant de 1 à 4 atomes de carbone, un phényle, un benzyle ou un phényle substitué comportant jusqu"à trois substituants sélectionnés dans le groupe comprenant un halogène, un hydroxyle, un alkyle comportant de 1 à 4 atomes de carbone et un alcoxy comportant de 1 à 4 atomes de carbone, A dénote un alkylène à chaîne droite ou ramifiée comportant de 1 à 5 atomes de carbone et X dénote O (oxygène) ou NH, et les sels d"addition d"acide de ces composés, R1, R2 et R3 ne dénotant pas simultanément un alkyle si X représente O (oxygène) et A représente de l"éthylène. Ces nouveaux composés présentent une activité hypotensive. On décrit également des procédés de préparation de ces composés.
• Derivatives of Piperazine. XXIII. Addition of 1-Arylpiperazines to α,β-Unsaturated Nitriles and Esters
  作者：C. B. Pollard、E. G. Rietz、R. Robbins

  DOI：10.1021/ja01108a059

  日期：1953.6