2-[1,4]Diazepan-1-yl-n-(3-fluoro-phenyl)-acetamide | 1016719-26-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[1,4]Diazepan-1-yl-n-(3-fluoro-phenyl)-acetamide
• 英文别名: 2-(1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
• CAS: 1016719-26-8
• 化学式: C₁₃H₁₈FN₃O
• mdl: MFCD09804996
• 分子量: 251.304
• InChiKey: YKVSISNGAVDDAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  44.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氯甲基苯并咪唑 、 2-[1,4]Diazepan-1-yl-n-(3-fluoro-phenyl)-acetamide 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
  参考文献：
  名称：

  Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers

  摘要：

  We have synthesized and biologically evaluated 1,4-diazepane derivatives as T-type calcium channel blockers. In this study, we discovered compound 4s, a potential T-type calcium channel blocker with good selectivity over hERG and N-type calcium channels. In addition, it exhibited favorable pharmacokinetic characteristics for further investigation of T-type calcium channel related diseases. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.084
• 作为产物：
  描述：

  高哌嗪 、 N-(氯乙酰)-3-氟苯胺 以 二氯甲烷 为溶剂， 生成 2-[1,4]Diazepan-1-yl-n-(3-fluoro-phenyl)-acetamide
  参考文献：
  名称：

  Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers

  摘要：

  We have synthesized and biologically evaluated 1,4-diazepane derivatives as T-type calcium channel blockers. In this study, we discovered compound 4s, a potential T-type calcium channel blocker with good selectivity over hERG and N-type calcium channels. In addition, it exhibited favorable pharmacokinetic characteristics for further investigation of T-type calcium channel related diseases. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.084

文献信息

• HtrA Inhibitors and CagA Inhibitors and Use Thereof
  申请人：PSOMAGEN INC.

  公开号：US20220122691A1

  公开（公告）日：2022-04-21

  The present application relates to new HtrA inhibitors and use thereof. Additionally, the present application also relates to new peptides for inhibiting CagA and use thereof.
• Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers
  作者：Su Jin Gu、Jae Kyun Lee、Ae Nim Pae、Hye Jin Chung、Hyewon Rhim、So Yeob Han、Sun-Joon Min、Yong Seo Cho

  DOI：10.1016/j.bmcl.2010.03.084

  日期：2010.5

  We have synthesized and biologically evaluated 1,4-diazepane derivatives as T-type calcium channel blockers. In this study, we discovered compound 4s, a potential T-type calcium channel blocker with good selectivity over hERG and N-type calcium channels. In addition, it exhibited favorable pharmacokinetic characteristics for further investigation of T-type calcium channel related diseases. (C) 2010 Elsevier Ltd. All rights reserved.