(2R,2'R)-2,2'-(isophthaloylbis(azanediyl))bis(3-mercaptopropanoic acid) | 1281998-58-0

• 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: (2R,2'R)-2,2'-(isophthaloylbis(azanediyl))bis(3-mercaptopropanoic acid)
• 英文别名: (2R)-2-[[3-[[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl]benzoyl]amino]-3-sulfanylpropanoic acid
• CAS: 1281998-58-0
• 化学式: C₁₄H₁₆N₂O₆S₂
• 分子量: 372.423
• InChiKey: VZNSEZAREXVTRB-UWVGGRQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  135
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  间苯二甲酸 在 三乙基硅烷 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.25h， 生成 (2R,2'R)-2,2'-(isophthaloylbis(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

• THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE
  申请人：Haley Boyd E.

  公开号：US20110076246A1

  公开（公告）日：2011-03-31

  Sulfur-containing ligands and methods of their utilization for binding metals and/or main group elements and removing them from fluids, solids, gases and/or tissues are disclosed. The ligands are of the general structure: where R 1 comprises benzene, pyridine, pyridin-4-one, naphthalene, anthracene, phenanthrene or alkyl groups, R 2 comprises hydrogen, alkyls, aryls, a carboxyl group, carboxylate esters, organic groups or biological groups, R 3 comprises alkyls, aryls, a carboxyl group, carboxylate esters, organic groups or biological groups, X comprises hydrogen, lithium, sodium, potassium, rubidium, cesium, francium, alkyls, aryls, a carboxyl group, carboxylate esters, thiophosphate, N-acetyl cysteine, mercaptoacetic acid, mercaptopropionic acid, thiolsalicylate, organic groups or biological groups, n independently equals 1-10, m=1-6, Y comprises hydrogen, polymers, silicas or silica supported substrates, and Z comprises hydrogen, alkyls, aryls, a carboxyl group, carboxylate esters, a hydroxyl group, NH 2 , HSO 3 , halogens, a carbonyl group, organic groups, biological groups, polymers, silicas or silica supported substrates.

  含硫配体及其在结合金属和/或主族元素并从流体、固体、气体和/或组织中去除它们的方法已被披露。这些配体具有一般结构：其中R1包括苯、吡啶、吡啶-4-酮、萘、蒽、菲或烷基，R2包括氢、烷基、芳基、羧基、羧酸酯、有机基团或生物基团，R3包括烷基、芳基、羧基、羧酸酯、有机基团或生物基团，X包括氢、锂、钠、钾、铷、铯、钫、烷基、芳基、羧基、羧酸酯、硫代磷酸酯、N-乙酰半胱氨酸、巯基乙酸、巯基丙酸、巯基水杨酸盐、有机基团或生物基团，n独立地等于1-10，m=1-6，Y包括氢、聚合物、硅或硅支撑基质，Z包括氢、烷基、芳基、羧基、羧酸酯、羟基、NH2、HSO3、卤素、羰基、有机基团、生物基团、聚合物、硅或硅支撑基质。
• THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM TISSUES AND FORMULATIONS THEREFOR
  申请人：Haley Boyd E.

  公开号：US20110160150A1

  公开（公告）日：2011-06-30

  Methods and pharmaceutical formulations for ameliorating heavy metal toxicity and/or oxidative stress are disclosed, comprising administering pharmaceutically effective amounts of ligands according to the present disclosure. The ligands are of the general structure: where R 1 comprises benzene, pyridine, pyridin-4-one, naphthalene, anthracene, phenanthrene or alkyl groups, R 2 comprises hydrogen, alkyls, aryls, a carboxyl group, carboxylate esters, organic groups or biological groups, R 3 comprises alkyls, aryls, a carboxyl group, carboxylate esters, organic groups or biological groups, X comprises hydrogen, lithium, sodium, potassium, rubidium, cesium, francium, alkyls, aryls, a carboxyl group, carboxylate esters, thiophosphate, N-acetyl cysteine, mercaptoacetic acid, mercaptopropionic acid, thiolsalicylate, organic groups or biological groups, n independently equals 1-10, m=1-6, Y comprises hydrogen, polymers, silicas or silica supported substrates, and Z comprises hydrogen, alkyls, aryls, a carboxyl group, carboxylate esters, a hydroxyl group, NH 2 , HSO 3 , halogens, a carbonyl group, organic groups, biological groups, polymers, silicas or silica supported substrates.
• US8575218B2
  申请人：——

  公开号：US8575218B2

  公开（公告）日：2013-11-05
• 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.