3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)pent-4-en-1-one | 1380395-68-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)pent-4-en-1-one
• CAS: 1380395-68-5
• 化学式: C₁₇H₁₆O₃
• 分子量: 268.312
• InChiKey: WHOFHUVZICVRQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)pent-4-en-1-one 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以82%的产率得到3-(5-hydroxy-5-(4-hydroxyphenyl)pent-1-en-3-yl)phenol
  参考文献：
  名称：

  Synthesis of norlignans and in vitro inhibitory activity of antigen-induced degranulation

  摘要：

  The synthesis and biological evaluation of a series of novel norlignans are described. Norlignans were evaluated for their inhibitory activity on the release of beta-hexosaminidase, a marker of degranulation, from RBL-2H3 cells induced by the IgE-antigen complex. The results showed that norlignans 4c and 4e potently inhibited degranulation, with IC50 values of 18.3 and 17.9 mu M, respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.033
• 作为产物：
  描述：

  对羟基苯乙酮 在 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)pent-4-en-1-one
  参考文献：
  名称：

  Synthesis of norlignans and in vitro inhibitory activity of antigen-induced degranulation

  摘要：

  The synthesis and biological evaluation of a series of novel norlignans are described. Norlignans were evaluated for their inhibitory activity on the release of beta-hexosaminidase, a marker of degranulation, from RBL-2H3 cells induced by the IgE-antigen complex. The results showed that norlignans 4c and 4e potently inhibited degranulation, with IC50 values of 18.3 and 17.9 mu M, respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.033

文献信息

• Synthesis of norlignans and in vitro inhibitory activity of antigen-induced degranulation
  作者：Eonjeong Park、Yoon Jung Yang、Aejin Kim、Jong Hwan Kwak、Young Hoon Jung、Se Chan Kang、In Su Kim

  DOI：10.1016/j.bmcl.2012.04.033

  日期：2012.6

  The synthesis and biological evaluation of a series of novel norlignans are described. Norlignans were evaluated for their inhibitory activity on the release of beta-hexosaminidase, a marker of degranulation, from RBL-2H3 cells induced by the IgE-antigen complex. The results showed that norlignans 4c and 4e potently inhibited degranulation, with IC50 values of 18.3 and 17.9 mu M, respectively. (C) 2012 Elsevier Ltd. All rights reserved.