3,3'-(propane-1,3-diyldithio)dipropionitrile | 65462-84-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,3'-(propane-1,3-diyldithio)dipropionitrile
• 英文别名: 3-[3-(2-cyanoethylsulfanyl)propylsulfanyl]-propanenitrile；3-[3-(2-Cyanoethylsulfanyl)propylsulfanyl]propanenitrile；3-[3-(2-cyanoethylsulfanyl)propylsulfanyl]propanenitrile
• CAS: 65462-84-2
• 化学式: C₉H₁₄N₂S₂
• 分子量: 214.356
• InChiKey: ZMTPKMSAAHLZSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  98.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3'-(propane-1,3-diyldithio)dipropionitrile 在 potassium fluoride 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以60%的产率得到3,3'-(propane-1,3-diyldisulfinyl)dipropionitrile
  参考文献：
  名称：

  Synthesis and biological testing of thioalkane- and thioarene-spaced bis-β-d-glucopyranosides

  摘要：

  A three-step synthesis of bis-beta-D-glucopyranosides containing thioalkane or thioarene spacers of different length and flexibility is described. The key-step reaction allows an easy modulation of final saccharidic products so that a library of molecules with different glycosidic residues and spacers can be obtained. Two of the new thioarene-spaced bis-beta-D-glucopyranosides endow with a specific cytotoxic potential. A more detailed investigation of one of the two compounds ascertains that this effect is attributable to induction of cell death by apoptosis. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.01.010
• 作为产物：
  描述：

  1,3-丙二硫醇 、 丙烯腈 在 苄基三甲基氢氧化铵 作用下， 反应 20.0h， 以100%的产率得到3,3'-(propane-1,3-diyldithio)dipropionitrile
  参考文献：
  名称：

  [EN] METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID
  [FR] PROCEDES, COMPOSES, ET COMPOSITIONS POUR ADMINISTRER DE L'ACIDE 1,3-PROPANE DISULFONIQUE

  摘要：

  这项发明涉及用于向受试者，特别是人类受试者输送1,3-丙二磺酸（1,3PDS）的方法、化合物和组合物。该发明涵盖将产生或生成1,3PDS的化合物，无论是在体外还是体内。该发明还涉及1,3PDS的磺酸酯前药以及1,3PDS的Gemini二聚体和寡聚体，用于预防或治疗相关疾病和病症。

  公开号：

  WO2011017800A1

文献信息

• [EN] METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID<br/>[FR] PROCEDES, COMPOSES, ET COMPOSITIONS POUR ADMINISTRER DE L'ACIDE 1,3-PROPANE DISULFONIQUE
  申请人：BELLUS HEALTH INTERNATIONAL LTD

  公开号：WO2011017800A1

  公开（公告）日：2011-02-17

  The invention relates to methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid (1,3PDS) in a subject, preferably a human subject. The invention encompasses compounds that will yield or generate 1,3PDS, either in vitro or in vivo. The invention also relates to sulfonate ester prodrugs of 1,3PDS as well as Gemini dimmers and oligomers of 1,3PDS for the prevention or treatment of associated diseases and conditions.

  这项发明涉及用于向受试者，特别是人类受试者输送1,3-丙二磺酸（1,3PDS）的方法、化合物和组合物。该发明涵盖将产生或生成1,3PDS的化合物，无论是在体外还是体内。该发明还涉及1,3PDS的磺酸酯前药以及1,3PDS的Gemini二聚体和寡聚体，用于预防或治疗相关疾病和病症。
• METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID
  申请人：Kong Xianqi

  公开号：US20120208850A1

  公开（公告）日：2012-08-16

  The invention relates to methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid (1,3PDS) in a subject, preferably a human subject. The invention encompasses compounds that will yield or generate 1,3PDS, either in vitro or in vivo. The invention also relates to sulfonate ester prodrugs of 1,3PDS as well as Gemini dimmers and oligomers of 1,3PDS for the prevention or treatment of associated diseases and conditions.

  本发明涉及用于向受体（优选为人类受体）输送1,3-丙二磺酸（1,3PDS）的方法、化合物和组合物。本发明包括能够在体外或体内产生或生成1,3PDS的化合物。本发明还涉及1,3PDS的磺酸酯前药，以及1,3PDS的双胞胎二聚体和寡聚体，用于预防或治疗相关疾病和病症。
• US9051248B2
  申请人：——

  公开号：US9051248B2

  公开（公告）日：2015-06-09
• Synthesis and biological testing of thioalkane- and thioarene-spaced bis-β-d-glucopyranosides
  作者：Maria C. Aversa、Anna Barattucci、Paola Bonaccorsi、Francesca Marino-Merlo、Antonio Mastino、Maria T. Sciortino

  DOI：10.1016/j.bmc.2009.01.010

  日期：2009.2

  A three-step synthesis of bis-beta-D-glucopyranosides containing thioalkane or thioarene spacers of different length and flexibility is described. The key-step reaction allows an easy modulation of final saccharidic products so that a library of molecules with different glycosidic residues and spacers can be obtained. Two of the new thioarene-spaced bis-beta-D-glucopyranosides endow with a specific cytotoxic potential. A more detailed investigation of one of the two compounds ascertains that this effect is attributable to induction of cell death by apoptosis. (c) 2009 Elsevier Ltd. All rights reserved.