(2R,2'R)-2,2'-(([2,2'-biquinoline]-4,4'-dicarbonyl)bis(azanediyl))bis(3-mercaptopropanoic acid) | 1446417-08-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2R,2'R)-2,2'-(([2,2'-biquinoline]-4,4'-dicarbonyl)bis(azanediyl))bis(3-mercaptopropanoic acid)
• 英文别名: (2R)-2-[[2-[4-[[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl]quinolin-2-yl]quinoline-4-carbonyl]amino]-3-sulfanylpropanoic acid
• CAS: 1446417-08-8
• 化学式: C₂₆H₂₂N₄O₆S₂
• 分子量: 550.616
• InChiKey: IYWZTFLCMIZENI-VXKWHMMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  161
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (2R,2'R)-2,2'-(([2,2'-biquinoline]-4,4'-dicarbonyl)bis(azanediyl))bis(3-(tritylthio)propanoic acid) 在 三乙基硅烷 、 三氟乙酸 作用下， 反应 3.0h， 以65%的产率得到(2R,2'R)-2,2'-(([2,2'-biquinoline]-4,4'-dicarbonyl)bis(azanediyl))bis(3-mercaptopropanoic acid)
  参考文献：
  名称：

  Dynamic Combinatorial Chemistry with Novel Dithiol Building Blocks: Towards New Structurally Diverse and Adaptive Screening Collections

  摘要：

  We describe the synthesis of a range of novel dithiol-functionalized building blocks and demonstrate how they can be used to generate new structurally diverse dynamic combinatorial libraries. A proof-of-principle experiment using the catecholamine dopamine revealed that molecular recognition changed the library composition under biocompatible conditions and identified new promising candidate receptors of this biologically important neurotransmitter.

  DOI：

  10.1055/s-0032-1318407

文献信息

• Dynamic Combinatorial Chemistry with Novel Dithiol Building Blocks: Towards New Structurally Diverse and Adaptive Screening Collections
  作者：David Spring、Tobias Postma、Warren Galloway、Fabien Cougnon、G. Pantoş、Jamie Stokes

  DOI：10.1055/s-0032-1318407

  日期：——

  We describe the synthesis of a range of novel dithiol-functionalized building blocks and demonstrate how they can be used to generate new structurally diverse dynamic combinatorial libraries. A proof-of-principle experiment using the catecholamine dopamine revealed that molecular recognition changed the library composition under biocompatible conditions and identified new promising candidate receptors of this biologically important neurotransmitter.