4,4'-bis(3-chloro-4-methyl-phenylaminoethoxyboryl)phenyl ether | 938083-98-8

• 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: 4,4'-bis(3-chloro-4-methyl-phenylaminoethoxyboryl)phenyl ether
• 英文别名: 4,4'-((2-aminoethoxy)(3-chloro-4-methylphenyl)boryl)diphenylether；2-[[4-[4-[2-Aminoethoxy-(3-chloro-4-methylphenyl)boranyl]phenoxy]phenyl]-(3-chloro-4-methylphenyl)boranyl]oxyethanamine
• CAS: 938083-98-8
• 化学式: C₃₀H₃₂B₂Cl₂N₂O₃
• 分子量: 561.124
• InChiKey: KVYPYXIXYWYXNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,4'-di((3-chloro-4-methylphenyl-2-hydroxyboryl)phenyl)ether 、 C.I.酸性橙108 以 乙醇 为溶剂， 生成 4,4'-bis(3-chloro-4-methyl-phenylaminoethoxyboryl)phenyl ether
  参考文献：
  名称：

  Synthesis of bisboron compounds and their strong inhibitory activity on store-operated calcium entry

  摘要：

  Store-operated calcium entry (SOCE) is an important mechanism for replenishing intracellular calcium stores and for sustaining calcium signaling. We developed a method for synthesis of bisboron compounds that have two borinic acids or their esters in one molecule. These compounds are analogues of 2-APB, which is widely used as a membrane-permeable SOCE inhibitor. Further, we examined the effect of the newly synthesized bisboron compounds on SOCE in Jurkat T cells. All the bisboron compounds showed strong inhibitory activity on SOCE, with IC50 values of less than 1 mu M, which were 20-45 times lower than observed with 2-APB. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.108

文献信息

• Synthesis of bisboron compounds and their strong inhibitory activity on store-operated calcium entry
  作者：Akinobu Z. Suzuki、Shoichiro Ozaki、Jun-Ichi Goto、Katsuhiko Mikoshiba

  DOI：10.1016/j.bmcl.2009.12.108

  日期：2010.2

  Store-operated calcium entry (SOCE) is an important mechanism for replenishing intracellular calcium stores and for sustaining calcium signaling. We developed a method for synthesis of bisboron compounds that have two borinic acids or their esters in one molecule. These compounds are analogues of 2-APB, which is widely used as a membrane-permeable SOCE inhibitor. Further, we examined the effect of the newly synthesized bisboron compounds on SOCE in Jurkat T cells. All the bisboron compounds showed strong inhibitory activity on SOCE, with IC50 values of less than 1 mu M, which were 20-45 times lower than observed with 2-APB. (C) 2010 Elsevier Ltd. All rights reserved.