4-(piperidin-1-ylmethyl)benzoyl chloride | 768320-30-5

• 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-(piperidin-1-ylmethyl)benzoyl chloride
• 英文别名: 4-Piperidin-1-ylmethyl-benzoyl chloride
• CAS: 768320-30-5
• 化学式: C₁₃H₁₆ClNO
• 分子量: 237.729
• InChiKey: PHEGQINZLFGQFV-UHFFFAOYSA-N

物化性质

• 沸点：
  328.3±25.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(piperidin-1-ylmethyl)benzoyl chloride 在 sodium azide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 4-(piperidin-1-ylmethyl)benzoyl azide
  参考文献：
  名称：

  Combination of 4-anilinoquinazoline, arylurea and tertiary amine moiety to discover novel anticancer agents

  摘要：

  In present study, 4-anilinoquinazolines scaffold, arylurea and tertiary amine moiety were combined to design, synthesize gefitinib analogs and discover novel anticancer agents. A series of 4-anilinoquinazoline derivatives (1, 2, 3 and 4) bearing arylurea and tertiary amine moiety at its 6-position were synthesized. Their antiproliferative activities in vitro were evaluated via MTT assay against A431 cell and A549 cell. The SAR of the title compounds was discussed. The compounds 2d, 2i and 2j with potent antiproliferative activities were evaluated their inhibitory activity against EGFR-TK. Compound 2j displayed potent inhibitory activity against EGFR-TK. In addition, compound 2j, at 50 mg/kg, can completely inhibit cancer growth in established nude mouse A549 xenograft model in vivo. These results suggest that the 4-anilinoquinazoline derivatives bearing diarylurea and tertiary amino moiety at its 6-position can serve as anticancer agents and EGFR inhibitors. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.12.001
• 作为产物：
  描述：

  4-溴甲基苯甲酸甲酯 在 氯化亚砜 、 水 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 4-(piperidin-1-ylmethyl)benzoyl chloride
  参考文献：
  名称：

  Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections

  摘要：

  The recent Ebola epidemics in West Africa underscore the great need for effective and practical therapies for future Ebola virus outbreaks. We have discovered a new series of remarkably potent small molecule inhibitors of Ebola virus entry. These 4-(aminomethyl)benzamide-based inhibitors are also effective against Marburg virus. Synthetic routes to these compounds allowed for the preparation of a wide variety of structures, including a conformationally restrained subset of indolines (compounds 41-50). Compounds 20, 23, 32, 33, and 35 are superior inhibitors of Ebola (Mayinga) and Marburg (Angola) infectious viruses. Representative compounds (20, 32, and 35) have shown good metabolic stability in plasma and liver microsomes (rat and human), and 32 did not inhibit CYP3A4 nor CYP2C9. These 4-(aminomethyl)benzamides are suitable for further optimization as inhibitors of filovirus entry, with the potential to be developed as therapeutic agents for the treatment and control of Ebola virus infections.

  DOI：

  10.1021/acs.jmedchem.0c00463

文献信息

• [EN] TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS<br/>[FR] COMPOSÉS DE TRIAZOLOPYRIDINE ET LEUR UTILISATION COMME INHIBITEURS DE ASK
  申请人：SERONO LAB

  公开号：WO2009027283A1

  公开（公告）日：2009-03-05

  The present invention relates to triazolopyridine compounds according to Formula (I), their use as medicament, for treating autoimmune disorders, inflammatorydiseases, cardiovascular disceases and/or neurodegenerative diseases and a process for their preparation.

  本发明涉及三唑吡啶化合物，其化学式为（I），其用作药物，用于治疗自身免疫性疾病、炎症性疾病、心血管疾病和/或神经退行性疾病，以及其制备方法。
• Triazolopyridine Compounds and Their Use as Ask Inhibitors
  申请人：Swinnen Dominique

  公开号：US20100197681A1

  公开（公告）日：2010-08-05

  The present invention relates to triazolopyridine compounds according to Formula (I), their use as medicament, for treating autoimmune disorders, inflammatory diseases, cardiovascular diseases and/or neurodegenerative diseases and a process for their preparation.

  本发明涉及按照公式（I）的三唑吡啶化合物，它们的用途是作为药物治疗自身免疫性疾病、炎症性疾病、心血管疾病和/或神经退行性疾病以及它们的制备方法。
• TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS
  申请人：SWINNEN DOMINIQUE

  公开号：US20120238565A1

  公开（公告）日：2012-09-20

  The present invention relates to triazolopyridine compounds according to Formula (I), their use as medicament, for treating autoimmune disorders, inflammatory diseases, cardiovascular diseases and/or neurodegenerative diseases and a process for their preparation.

  本发明涉及公式（I）的三唑吡啶化合物，其用作药物，用于治疗自身免疫性疾病、炎症性疾病、心血管疾病和/或神经退行性疾病以及其制备过程。
• Triazolopyridine compounds and their use as ask inhibitors
  申请人：Merck Serono SA

  公开号：US08263595B2

  公开（公告）日：2012-09-11

  The present invention relates to triazolopyridine compounds according to Formula (I), their use as medicament, for treating autoimmune disorders, inflammatory diseases, cardiovascular diseases and/or neurodegenerative diseases and a process for their preparation.

  本发明涉及三唑吡啶化合物，其化学式为（I），它们的用途是作为药物治疗自身免疫性疾病、炎症性疾病、心血管疾病和/或神经退行性疾病，并提供其制备方法。
• Discovery of 4-amino-1H-pyrazolo[3,4-d]pyrimidin derivatives as novel discoidin domain receptor 1 (DDR1) inhibitors
  作者：Ru Dong、Xin Zhou、Min Wang、Wen Li、Jin-Yang Zhang、Xin Zheng、Kai-Xiang Tang、Li-Ping Sun

  DOI：10.1016/j.bmc.2020.115876

  日期：2021.1