syn-Methyl-m-Chlorbenzylidenacetonoxim | 21613-54-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: syn-Methyl-m-Chlorbenzylidenacetonoxim
• 英文别名: (NE)-N-[(E)-4-(3-chlorophenyl)but-3-en-2-ylidene]hydroxylamine
• CAS: 21613-54-7
• 化学式: C₁₀H₁₀ClNO
• 分子量: 195.648
• InChiKey: VVMWYPSTSXTRDL-DOQHAEMYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(3-chlorophenyl)but-3-en-2-one 在 盐酸羟胺 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 1.5h， 以30%的产率得到syn-Methyl-m-Chlorbenzylidenacetonoxim
  参考文献：
  名称：

  Oxime derivatives related to AP18: Agonists and antagonists of the TRPA1 receptor

  摘要：

  AP18 1 was recently disclosed as an antagonist of the TRPA1 receptor by the research group of Patapoutian. However, no detailed structure-activity relationships around 1 have been disclosed. Thus, a small number of oximes related to AP18 were examined in order to characterize the determinants of TRPA1 activity. Congeners of AP18 were found to possess both agonist and antagonist activity, suggesting that AP18 may behave as a covalent antagonist of the TRPA1 ion-channel. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.113

文献信息

• Oxime derivatives related to AP18: Agonists and antagonists of the TRPA1 receptor
  作者：Jeff DeFalco、Daniel Steiger、Amy Gustafson、Daniel E. Emerling、Michael G. Kelly、Matthew A.J. Duncton

  DOI：10.1016/j.bmcl.2009.10.113

  日期：2010.1

  AP18 1 was recently disclosed as an antagonist of the TRPA1 receptor by the research group of Patapoutian. However, no detailed structure-activity relationships around 1 have been disclosed. Thus, a small number of oximes related to AP18 were examined in order to characterize the determinants of TRPA1 activity. Congeners of AP18 were found to possess both agonist and antagonist activity, suggesting that AP18 may behave as a covalent antagonist of the TRPA1 ion-channel. (c) 2009 Elsevier Ltd. All rights reserved.