Thiamine disulfide | 67-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Thiamine disulfide
• 英文别名: thiamine disulphide；thiamin disulfide；N,N'-bis-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N,N'-[2,5-bis-(2-hydroxy-ethyl)-1,6-dimethyl-3,4-dithia-hexa-1,5-diene-1,6-diyl]-bis-formamide；Thiamin-disulfid；Thiamindisulfid；N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide
• CAS: 67-16-3；100502-51-0
• 化学式: C₂₄H₃₄N₈O₄S₂
• 分子量: 562.717
• InChiKey: GFEGEDUIIYDMOX-YHARCJFQSA-N

物化性质

• 沸点：
  886.1±65.0 °C(Predicted)
• 密度：
  1.373±0.06 g/cm3(Predicted)
• 熔点：
  177.0 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  235
• 氢给体数：
  4
• 氢受体数：
  12

安全信息

• RTECS号：
  LQ2715000
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  Thiamine disulfide 在 1,4-二巯基-2,3-丁二醇 作用下， 以 甲醇 、 水 为溶剂， 反应 168.0h， 生成 4-amino-1-<(4-amino-1,2-dimethyl-5-pyrimidinio)methyl>-5-<<5-(2-hydroxyethyl)-4-methyl-3-thiazolinio>methyl>-2-methylpyrimidinium triperchlorate
  参考文献：
  名称：

  Preparation and reactivity of model compounds related to oligomers from thiamin. A mechanism for oligomerization

  摘要：

  DOI：

  10.1021/ja00406a038
• 作为产物：
  描述：

  N,N'-(disulfanediylbis(5-hydroxypent-2-ene-3,2-diyl))bis(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamide) heptadecanoate 以 水 为溶剂， 生成 十七烷酸 、 Thiamine disulfide
  参考文献：
  名称：

  Kinetic study on the release of thiamine disulfide(TDS) from TDS-higher fatty acids complexes.

  摘要：

  测定了在不同温度下奇数脂肪酸-TDS 复合物（C2n-1）6（TDS）中二硫化硫胺（TDS）的释放速率，并估算了复合物中TDS释放动力学中的热力学量。络合物释放 TDS 的活化吉布斯能ΔG〓和活化焓ΔH〓均为正值。将(C2n-1)6 (TDS)的结果与之前偶数脂肪酸-TDS 复合物(C2n)6(TDS)的结果进行了比较。从络合物中释放 TDS 的速率常数与组成脂肪酸的碳数之间的关系图显示出一种之字形模式，表明在奇数位置向下凸。此外，ΔH〓的正值与组成脂肪酸的碳数的关系图显示出一条之字形线，表示在奇数位置向上凸，而ΔS〓的负值与组成脂肪酸的碳数的关系图显示出一条之字形线，表示在奇数位置向下凸。与(C2n)6(TDS)相比，(C<2n-1>)6(TDS)释放 TDS 从活化焓角度看更不利，从活化熵角度看更有利。研究发现，(C2n-1)6(TDS) 中 TDS 的释放是一个焓控制反应，由于焓效应，释放更为不利。过渡中间体的热力学参数可以解释 TDS 从配合物中释放速率的 "之 "字形线。

  DOI：

  10.1248/cpb.38.1819

文献信息

• Nitric Oxide Releasing Prodrugs of Therapeutic Agents
  申请人：SATYAM Apparao

  公开号：US20110263526A1

  公开（公告）日：2011-10-27

  The present invention relates to nitric oxide releasing prodrugs of known drugs or therapeutic agents which are represented herein as compounds of formula (I) wherein the drugs or therapeutic agents contain one or more functional groups independently selected from a carboxylic acid, an amino, a hydroxyl and a sulfhydryl group. The invention also relates to processes for the preparation of the nitric oxide releasing prodrugs (the compounds of formula (I)), to pharmaceutical compositions containing them and to methods of using the prodrugs.

  本发明涉及已知药物或治疗剂的一氧化氮释放前药，其在此处表示为式(I)的化合物，其中药物或治疗剂包含一个或多个功能基团，独立地选自羧酸、氨基、羟基和巯基。该发明还涉及制备一氧化氮释放前药（式(I)的化合物）的方法，含有它们的药物组合物以及使用这些前药的方法。
• COMPOSITIONS CONTAINING SUCRALOSE AND APPLICATION THEREOF
  申请人：Inoue Maki

  公开号：US20120121734A1

  公开（公告）日：2012-05-17

  Novel utilization of sucralose which is a high intense sweetener. Compositions containing sucralose including: sweetening compositions having excellent sweetness qualities based on the characteristics of sucralose; foods with a masked unpleasant smell and unpleasant taste; performance food compositions (viscous food compositions, gel food compositions, emulsified food compositions); foods with improved flavors; preservatives and foods with improved quality of taste; and flavor compositions with improved flavors. Novel utilization of sucralose as a sweetener improver, a masking agent for unpleasant smell/unpleasant taste, a flavor improver, a function improver (viscosity, gelling properties, emulsification properties), a taste characteristic improver, and a flavor improver/enhancer.

  对蔗糖烯糖醇的新型利用，这是一种高强度甜味剂。包含蔗糖烯糖醇的组合物包括：基于蔗糖烯糖醇特性具有出色甜味品质的甜味组合物；具有掩盖难闻气味和难吃味道的食品；性能食品组合物（粘性食品组合物、凝胶食品组合物、乳化食品组合物）；具有改善口味的食品；具有改善口味质量的防腐剂和食品；以及具有改善口味的风味组合物。对蔗糖烯糖醇作为甜味改进剂、掩盖剂（用于难闻气味/难吃味道）、口味改进剂、功能改进剂（粘度、凝胶性能、乳化性能）、口味特性改进剂以及风味改进剂/增强剂的新型利用。
• Urea phosphite
  申请人：Dean William Frank

  公开号：US20060063675A1

  公开（公告）日：2006-03-23

  Urea Phosphite is a new composition of matter useful as a fertilizer and as a fungicide. It is made by reacting phosphorous acid with urea. Urea Phosphite is characterized by being a liquid produced in an unprocessed reaction, and by having phosphite as a phosphorus source and urea as a nitrogen source. The reaction products may be separated, blended with an admix and spray dried, or, dissolved in water.

  尿素亚磷酸盐是一种新的物质组成，可作为肥料和杀菌剂使用。它是通过将磷酸与尿素反应而制成的。尿素亚磷酸盐的特点是它是一种未经加工反应产生的液体，磷酸盐作为磷源，尿素作为氮源。反应产物可以分离，与混合剂混合并喷雾干燥，或溶于水中。
• ANTI-INFLAMMATORY PEPTIDE
  申请人：Sato Kenji

  公开号：US20110183925A1

  公开（公告）日：2011-07-28

  Provided is an anti-inflammatory composition which has a high efficacy, causes no concern about side effects, is easy to ingest, and can also be administered for a long period of time because of its low cost and high safety. The present invention relates to a peptide comprising an amino acid sequence represented by pyroGlu-(X)n-A or a salt thereof, wherein X is independently Gln, Asn, or Pro; A represents Gln, Asn, Leu, Ile, Met, Val, or Phe; and n represents an integer of 0 to 2, and an anti-inflammatory composition comprising the same.

  提供了一种具有高效性、不会引起副作用、易于摄入并且由于成本低和安全性高可以长期使用的抗炎组合物。本发明涉及一种肽，其包含由pyroGlu-(X)n-A或其盐表示的氨基酸序列，其中X独立地表示Gln、Asn或Pro；A表示Gln、Asn、Leu、Ile、Met、Val或Phe；n表示0到2的整数，以及包含其的抗炎组合物。
• Delivery of therapeutic compositions using ultrasound
  申请人：——

  公开号：US20030092667A1

  公开（公告）日：2003-05-15

  Therapeutic compositions are delivered to a target site using a catheter which includes at least one ultrasound transducer coupled to an energy source. The therapeutic compositions include genetic material and the target site may be a DNA with affinity for the genetic material.

  治疗组合物使用至少一个与能量源耦合的超声波换能器的导管输送到目标部位。治疗组合物包括遗传物质，目标部位可以是对该遗传物质具有亲和力的DNA。

表征谱图