2,17-Dibromo-6,7,9,10,12,13-hexahydrodibenzo[b,e][1,4,7,10,13]pentaoxacyclopentadecine | 473827-99-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,17-Dibromo-6,7,9,10,12,13-hexahydrodibenzo[b,e][1,4,7,10,13]pentaoxacyclopentadecine
• 英文别名: 5,22-dibromo-2,9,12,15,18-pentaoxatricyclo[17.4.0.03,8]tricosa-1(19),3(8),4,6,20,22-hexaene
• CAS: 473827-99-5
• 化学式: C₁₈H₁₈Br₂O₅
• 分子量: 474.146
• InChiKey: PECFGEYDVGTFNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  硼酸三甲酯 、 2,17-Dibromo-6,7,9,10,12,13-hexahydrodibenzo[b,e][1,4,7,10,13]pentaoxacyclopentadecine 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Allosteric Interaction of Metal Ions with Saccharides in a Crowned Diboronic Acid

  摘要：

  A diboronic acid saccharide (covalent) receptor site and a crown metal ion (electrostatic) receptor site are successfully coupled in an allosteric system. The binding of monosaccharides with 2b as intramolecular 1:1 complexes was monitored by circular dichroism (CD). Added calcium perchlorate reduces the binding of the 1:1 saccharide complexes as followed by a decrease in the CD activity. This is a novel allosteric system which mimics the action of the Na+/D-glucose cotransport protein in nature.

  DOI：

  10.1021/ja00090a004
• 作为产物：
  描述：

  2,2'-二羟基二苯醚 、 三乙二醇二(对甲苯磺酸酯) 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 生成 2,17-Dibromo-6,7,9,10,12,13-hexahydrodibenzo[b,e][1,4,7,10,13]pentaoxacyclopentadecine
  参考文献：
  名称：

  Allosteric Interaction of Metal Ions with Saccharides in a Crowned Diboronic Acid

  摘要：

  A diboronic acid saccharide (covalent) receptor site and a crown metal ion (electrostatic) receptor site are successfully coupled in an allosteric system. The binding of monosaccharides with 2b as intramolecular 1:1 complexes was monitored by circular dichroism (CD). Added calcium perchlorate reduces the binding of the 1:1 saccharide complexes as followed by a decrease in the CD activity. This is a novel allosteric system which mimics the action of the Na+/D-glucose cotransport protein in nature.

  DOI：

  10.1021/ja00090a004

文献信息

• Allosteric Interaction of Metal Ions with Saccharides in a Crowned Diboronic Acid
  作者：Gang Deng、Tony D. James、Seiji Shinkai

  DOI：10.1021/ja00090a004

  日期：1994.6

  A diboronic acid saccharide (covalent) receptor site and a crown metal ion (electrostatic) receptor site are successfully coupled in an allosteric system. The binding of monosaccharides with 2b as intramolecular 1:1 complexes was monitored by circular dichroism (CD). Added calcium perchlorate reduces the binding of the 1:1 saccharide complexes as followed by a decrease in the CD activity. This is a novel allosteric system which mimics the action of the Na+/D-glucose cotransport protein in nature.