2-[Butyl(2-sulfanylethyl)amino]ethanethiol | 90225-84-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[Butyl(2-sulfanylethyl)amino]ethanethiol
• CAS: 90225-84-6
• 化学式: C₈H₁₉NS₂
• 分子量: 193.378
• InChiKey: CFNCLXXXPPXBJP-UHFFFAOYSA-N

物化性质

• 沸点：
  259.7±25.0 °C(Predicted)
• 密度：
  0.986±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  5.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吗啉-4-乙基硫醇 、 trans-[ReOCl3(PPh3)2] 、 2-[Butyl(2-sulfanylethyl)amino]ethanethiol 在 NaCH₃COO 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Neutral ‘3 + 1’ mixed-ligand oxorhenium(V) complexes with tridentate [S,N,S] chelates and aminoalkanethiols: synthesis, characterization and structure determination ‡

  摘要：

  �3+1�氧铼(V)络合物[ReO(SN(R�2)S)(SR)]（R�2=Me、Et、Pr或Bu；SR=氨基烷硫醇盐）通过反式三氯单氧代-双(三苯基膦)铼(V)与HSN(R-)SH和RSH的混合物在碱性甲醇溶液中的配体交换合成。通过柱色谱法纯化络合物，并通过元素分析、质谱和红外光谱进行表征，并通过 1 H NMR 光谱对选定的化合物进行表征。这些配合物的结构已通过 X 射线衍射分析确定，并揭示了配位几何形状从方锥体到三角双锥体的变化，具体取决于螯合 (SN(R−)S) 部分。发现烷基(R-2)与氧铼基团排列成-syn-。

  DOI：

  10.1039/b001600o

文献信息

• Di-sulfide containing cell penetrating peptides and methods of making and using thereof
  申请人：Ohio State Innovation Foundation

  公开号：US11351222B2

  公开（公告）日：2022-06-07

  Disclosed is a general, reversible bicyclization strategy to increase both the proteolytic stability and cell permeability of peptidyl drugs. A peptide drug is fused with a short cell-penetrating motif and converted into a conformationally constrained bicyclic structure through the formation of a pair of disulfide bonds. The resulting bicyclic peptide has greatly enhanced proteolytic stability as well as cell-permeability. Once inside the cell, the disulfide bonds are reduced to produce a linear, biologically active peptide. This strategy was applied to generate a cell-permeable bicyclic peptidyl inhibitor against the NEMO-IKK interaction.

  本发明公开了一种通用、可逆的双环化策略，用于提高多肽药物的蛋白水解稳定性和细胞渗透性。肽类药物与短的细胞穿透基团融合，并通过形成一对二硫键转化为构象受限的双环结构。由此产生的双环肽大大提高了蛋白水解稳定性和细胞渗透性。进入细胞后，二硫键被还原，生成具有生物活性的线性肽。我们采用这种策略生成了一种针对 NEMO-IKK 相互作用的细胞渗透性双环肽抑制剂。
• DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF
  申请人：Ohio State Innovation Foundation

  公开号：US20190282654A1

  公开（公告）日：2019-09-19

  Disclosed is a general, reversible bicyclization strategy to increase both the proteolytic stability and cell permeability of peptidyl drugs. A peptide drug is fused with a short cell-penetrating motif and converted into a conformationally constrained bicyclic structure through the formation of a pair of disulfide bonds. The resulting bicyclic peptide has greatly enhanced proteolytic stability as well as cell-permeability. Once inside the cell, the disulfide bonds are reduced to produce a linear, biologically active peptide. This strategy was applied to generate a cell-permeable bicyclic peptidyl inhibitor against the NEMO-IKK interaction.
• US4297513A
  申请人：——

  公开号：US4297513A

  公开（公告）日：1981-10-27