4-(2,3-dimethylphenyl)piperidine hydrochloride | 1370256-43-1

• 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-(2,3-dimethylphenyl)piperidine hydrochloride
• 英文别名: 4-(2,3-dimethylphenyl)piperidine;hydrochloride
• CAS: 1370256-43-1
• 化学式: C₁₃H₁₉N*ClH
• 分子量: 225.762
• InChiKey: IVAIIEOFJOMKTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(2,3-dimethylphenyl)piperidine hydrochloride 、 2-(3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl)ethyl methanesulfonate 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 10.0h， 生成 (1-(2-(4-(2,3-dimethylphenyl)piperidin-1-yl)ethyl)-1H-indazol-3-yl)(pyrrolidin-1-yl)methanone
  参考文献：
  名称：

  [EN] NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS
  [FR] NOUVEAUX COMPOSÉS ARYLALKYLE PYRAZOLE UTILES EN TANT QU'INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE

  摘要：

  本文披露了化合物的结构式（I），这些化合物是IDO酶的抑制剂：本文还披露了这些化合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。本文还披露了包含这些化合物的组合物。此外，本文还披露了这些组合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。

  公开号：

  WO2020081381A1
• 作为产物：
  描述：

  2,3-二甲基溴苯 在 盐酸 、 palladium 10% on activated carbon 、 氢气 、 碘 、 magnesium 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 水 为溶剂， 反应 27.0h， 生成 4-(2,3-dimethylphenyl)piperidine hydrochloride
  参考文献：
  名称：

  Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT2C agonists

  摘要：

  A series of substituted 4-arylpiperidines and a smaller family of 4-aryl-1,2,3,6-tetrahydropyridines were synthesized and their biological activity at the 5-HT2C receptor studied to determine whether either series showed noteworthy agonist activity. Structure-activity relationships were developed from the performed receptor binding assays and functional studies, and the results of the analysis are presented herein. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.122

文献信息

• [EN] NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS PYRAZOLE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2020092183A1

  公开（公告）日：2020-05-07

  Disclosed herein are compounds of formula (I) which are inhibitors of an IDO enzyme: (I). Also disclosed herein are uses of the compounds in the potential treatment or prevention of an IDO-associated disease or disorder. Also disclosed herein are compositions comprising these compounds. Further disclosed herein are uses of the compositions in the potential treatment or prevention of an IDO-associated disease or disorder.

  本文披露了化合物的结构式 (I)，这些化合物是 IDO 酶的抑制剂：(I)。本文还披露了这些化合物在潜在治疗或预防与 IDO 相关疾病或紊乱中的用途。本文还披露了包含这些化合物的组合物。此外，本文还披露了这些组合物在潜在治疗或预防与 IDO 相关疾病或紊乱中的用途。
• NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3873464A1

  公开（公告）日：2021-09-08
• NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20210380572A1

  公开（公告）日：2021-12-09

  Disclosed herein are compounds of formula (I) which are inhibitors of an IDO enzyme: Also disclosed herein are uses of the compounds in the potential treatment or prevention of an IDO-associated disease or disorder. Also disclosed herein are compositions comprising these compounds. Further disclosed herein are uses of the compositions in the potential treatment or prevention of an IDO-associated disease or disorder.
• [EN] NOVEL ARYLALKYL PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS ARYLALKYLE PYRAZOLE UTILES EN TANT QU'INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2020081381A1

  公开（公告）日：2020-04-23

  Disclosed herein are compounds of formula (I) which are inhibitors of an IDO enzyme: Also disclosed herein are uses of the compounds in the potential treatment or prevention of an IDO-associated disease or disorder. Also disclosed herein are compositions comprising these compounds. Further disclosed herein are uses of the compositions in the potential treatment or prevention of an IDO-associated disease or disorder.

  本文披露了化合物的结构式（I），这些化合物是IDO酶的抑制剂：本文还披露了这些化合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。本文还披露了包含这些化合物的组合物。此外，本文还披露了这些组合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。
• Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT2C agonists
  作者：Richard J. Conway、Celine Valant、Arthur Christopoulos、Alan D. Robertson、Ben Capuano、Ian T. Crosby

  DOI：10.1016/j.bmcl.2012.01.122

  日期：2012.4

  A series of substituted 4-arylpiperidines and a smaller family of 4-aryl-1,2,3,6-tetrahydropyridines were synthesized and their biological activity at the 5-HT2C receptor studied to determine whether either series showed noteworthy agonist activity. Structure-activity relationships were developed from the performed receptor binding assays and functional studies, and the results of the analysis are presented herein. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.