N-Cyan-N'-isobutyl-S-methyl-isothioharnstoff | 5848-29-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫脲类
• 英文名称: N-Cyan-N'-isobutyl-S-methyl-isothioharnstoff
• 英文别名: N-cyano-N'-isobutyl-S-methyl-isothiourea；Methyl N-cyano-Na(2)-(2-methylpropyl)carbamimidothioate；methyl N-cyano-N'-(2-methylpropyl)carbamimidothioate
• CAS: 5848-29-3
• 化学式: C₇H₁₃N₃S
• 分子量: 171.266
• InChiKey: MAOAHLCDYMJYAQ-UHFFFAOYSA-N

物化性质

• 熔点：
  119-120 °C
• 沸点：
  244.6±23.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  73.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-Cyan-N'-isobutyl-S-methyl-isothioharnstoff 在 乙醇 、 氨 作用下， 生成 N-cyano-N’-isobutylguanidine
  参考文献：
  名称：

  Curd et al., Journal of the Chemical Society, 1948, p. 1630,1634

  摘要：

  DOI：
• 作为产物：
  描述：

  异硫氰酸异丁酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 作用下， 生成 N-Cyan-N'-isobutyl-S-methyl-isothioharnstoff
  参考文献：
  名称：

  Curd et al., Journal of the Chemical Society, 1948, p. 1630,1634

  摘要：

  DOI：

文献信息

• Viruses, endoplasmic reticulum stress, and interferon responses
  作者：B He

  DOI：10.1038/sj.cdd.4401833

  日期：2006.3

  Viral infection induces endoplasmic reticulum (ER) stress and interferon responses. While viral double-stranded RNA intermediates trigger interferon responses, viral polypeptides synthesized during infection stimulate ER stress. Among the interferon-regulated gene products, the double-stranded RNA-dependent protein kinase (PKR) plays a key role in limiting viral replication. Thus, to establish productive infection, viruses have evolved mechanisms to overcome the deleterious effects of PKR. It has become clear that ER stress causes translational attenuation and transcriptional upregulation of genes encoding proteins that facilitate folding or degradation of proteins. Notably, prolonged ER stress triggers apoptosis. Therefore, viruses are confronted with the consequences of ER stress. Emerging evidence suggests that viruses not only interfere with the interferon system involving PKR but also manipulate the programs emanating from the ER in a complex way, which may facilitate viral replication or pathogenesis. This review highlights recent progress in these areas.

  病毒感染引发内质网（ER）应激和干扰素反应。病毒双链RNA中间体触发干扰素反应，而在感染过程中合成的病毒多肽则刺激内质网应激。在干扰素调控的基因产物中，双链RNA依赖性蛋白激酶（PKR）在限制病毒复制方面发挥了关键作用。因此，为了建立有效的感染，病毒进化出了克服PKR有害效应的机制。显然，内质网应激会导致翻译抑制和编码促进蛋白质折叠或降解的蛋白的基因转录上调。值得注意的是，长期的内质网应激会触发细胞凋亡。因此，病毒面临内质网应激的后果。新兴证据表明，病毒不仅干扰涉及PKR的干扰素系统，还以复杂的方式操控源自内质网的程序，这可能促进病毒的复制或致病性。这篇综述强调了这些领域的近期进展。
• Bisbiguanide derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0126558A1

  公开（公告）日：1984-11-28

  This invention relates to a bisbiguanide of the formula: R1R1N.C(:NR5)NH.C(:NH)NH-X-NH. or a tautomeric form thereof, wherein each of R1, R2, R3, and R4, which may be the same or different, is hydrogen, an alkyl radical of up to 5 carbon atoms (1-5C) such that R1, R2, R3 and R4 together contain 4 to 12 carbon atoms, or a 3-5C alkenyl radical; or R1, R2 and the nitrogen atom to which they are attached, or R3 and R4 and the nitrogen atom to which they are attached, which may be the same or different, are each a 1-azetidinyl, 1-pyrrolidinyl, piperidino, hexamethyleneimino, heptamethyleneimino, morpholino or 4-(1-8C alkanoyl)-1--piperazinyl radical, each of which may bear 1-3C alkyl substituents; provided that at least one of R1, R2, R3, and R4 is other than hydrogen; R5 and R6 are each hydrogen or a 1-8C alkyl radical; and X is a 7-20C linking group which is a straight chain alkylene radical, or a straight chain alkylene radical bearing one or more 1-3C alkyl substituents, of which any pair or pairs which are attached to different carbon atoms may be joined so as to form, together with the intervening carbon atom or atoms of the alkylene radical, a cycloalkyl radical or radicals; and the acid addition salts thereof; to processes for the manufacture thereof; and to compositions and methods of use thereof.

  本发明涉及一种式中的双胍：R1R1N.C(:NR5)NH.C(:NH)NH-X-NH. 或其同分异构体形式，其中 R1、R2、R3 和 R4（可以相同或不同）各自为氢、最多 5 个碳原子（1-5C）的烷基，这样 R1、R2、R3 和 R4 共含有 4 至 12 个碳原子，或 3-5C 烯基；或 R1、R2 及其所连接的氮原子，或 R3 和 R4 及其所连接的氮原子（可以相同或不同）各自为 1-氮杂环丁基、1-吡咯烷基、哌啶基、六亚甲基、七亚甲基、吗啉基或 4-(1-8C烷酰基)-1-哌嗪基，其中每个基团可带有 1-3C 烷基取代基；条件是 R1、R2、R3 和 R4 中至少有一个不是氢；R5 和 R6 各为氢或 1-8C 烷基；X 为 7-20C 连接基团，它是直链亚烷基，或带有一个或多个 1-3C 烷基取代基的直链亚烷基，其中连接到不同碳原子上的任何一对或多对可连接起来，以便与亚烷基的中间碳原子一起形成一个或多个环烷基；及其酸加成盐；其制造工艺；以及其组合物和使用方法。