(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-(hydroxyimino)-3-oxobutanamide | 1593181-07-7

• 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: (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-(hydroxyimino)-3-oxobutanamide
• 英文别名: (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyimino-3-oxobutanamide
• CAS: 1593181-07-7
• 化学式: C₁₇H₂₃N₃O₃
• 分子量: 317.388
• InChiKey: FTGBOQBZOMTIER-KNTRCKAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.43
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  82.0
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-(hydroxyimino)-3-oxobutanamide 在 盐酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 以63%的产率得到(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-(hydroxyimino)-3-oxobutanamidehydrochloride
  参考文献：
  名称：

  Design, synthesis, and characterization of novel, nonquaternary reactivators of GF-inhibited human acetylcholinesterase

  摘要：

  The goal of this research was to identify structurally novel, non-quaternarypyridinium reactivators of GF (cyclosarin)-inhibited hAChE that possess the capacity to mediate in vitro reactivation of GF-inhibited human acetylcholinesterase (hAChE). New compounds were designed, synthesized and assessed in GFinhibited hAChE assays. Structure activity relationships for AChE binding and reactivation of GF-inhibited hAChE were developed. Lead compounds from two different chemical series, represented by compounds 17 and 38, displayed proficient in vitro reactivation of GF- inhibited hAChE, while also possessing low inhibition of native enzyme. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.02.049
• 作为产物：
  描述：

  1-苄基哌啶-4-甲胺 以 四氢呋喃 、 5,5-dimethyl-1,3-cyclohexadiene 、 溶剂黄146 为溶剂， 反应 2.0h， 生成 (2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-(hydroxyimino)-3-oxobutanamide
  参考文献：
  名称：

  Design, synthesis, and characterization of novel, nonquaternary reactivators of GF-inhibited human acetylcholinesterase

  摘要：

  The goal of this research was to identify structurally novel, non-quaternarypyridinium reactivators of GF (cyclosarin)-inhibited hAChE that possess the capacity to mediate in vitro reactivation of GF-inhibited human acetylcholinesterase (hAChE). New compounds were designed, synthesized and assessed in GFinhibited hAChE assays. Structure activity relationships for AChE binding and reactivation of GF-inhibited hAChE were developed. Lead compounds from two different chemical series, represented by compounds 17 and 38, displayed proficient in vitro reactivation of GF- inhibited hAChE, while also possessing low inhibition of native enzyme. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.02.049

文献信息

• Oximes For Treatment Of Peripheral And Central Nervous System Exposure To Acetyl Cholinesterase Inhibitors
  申请人：MCHARDY Stanton F.

  公开号：US20130035351A1

  公开（公告）日：2013-02-07

  The present invention relates to non-charged oxime compounds which are acetyl cholinesterase (AChE) reactivators of inhibited AChE and which protect against organophosphate poisoning both peripherally and in the central nervous system. Also disclosed are pharmaceutical compositions and methods for preparing the reactivator compounds and associated intermediates.
• OXIMES FOR TREATMENT OF PERIPHERAL AND CENTRAL NERVOUS SYSTEM EXPOSURE TO ACETYL CHOLINESTERASE INHIBITORS
  申请人：McHardy Stanton F.

  公开号：US20140066421A1

  公开（公告）日：2014-03-06

  The present invention relates to non-charged oxime compounds which are acetyl cholinesterase (AChE) reactivators of inhibited AChE and which protect against organophosphate poisoning both peripherally and in the central nervous system. Also disclosed are pharmaceutical compositions and methods for preparing the reactivator compounds and associated intermediates.
• Oximes For Treatment Of Peripheral And Central Nervous System Exposure to Acetyl Cholinesterase Inhibitors
  申请人：Southwest Research Institute

  公开号：US20150005328A1

  公开（公告）日：2015-01-01

  The present invention relates to non-charged oxime compounds which are acetyl cholinesterase (AChE) reactivators of inhibited AChE and which protect against organophosphate poisoning both peripherally and in the central nervous system. Also disclosed are pharmaceutical compositions and methods for preparing the reactivator compounds and associated intermediates.
• US8653108B1
  申请人：——

  公开号：US8653108B1

  公开（公告）日：2014-02-18
• US8772345B2
  申请人：——

  公开号：US8772345B2

  公开（公告）日：2014-07-08