ACS-33

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ACS-33
• 英文别名: 2-((methylsulfonyl)thio)ethyl 2-propylpentanoate；2-propyl-pentanoic acid 2-methanesulfonylsulfanyl-ethyl ester；2-(Methylsulfonylthio)ethyl 2-propylpentanoate；2-methylsulfonylsulfanylethyl 2-propylpentanoate
• 化学式: C₁₁H₂₂O₄S₂
• 分子量: 282.425
• InChiKey: ZHKBCGORMGLCBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  94.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙戊酸 、 S-(2-羟基乙基)甲烷硫代磺酸酯 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 ACS-33
  参考文献：
  名称：

  甲硫基磺酸盐衍生物作为STAT3-SH2结构域的配体。

  摘要：

  为了发现可能用作抗癌药的新型STAT3直接抑制剂，合成了一组甲硫代磺酸盐药物杂化物。体外试验表明，所有的硫代磺酸化合物都能够牢固而有选择地结合STAT3-SH2结构域，而母体药物则完全没有这种能力。另外，它们中的一些对HCT-116癌细胞系显示出中等的抗增殖活性。这些结果表明甲硫代磺酸盐部分可以被认为是制备新的直接STAT3抑制剂的有用支架。有趣的是，偶尔分离出一种具有有价值的抗增殖活性的不寻常的有机硫衍生物。[公式：见文字]。

  DOI：

  10.1080/14756366.2016.1252757

文献信息

• Anti-inflammatory agents
  申请人：Sulfidris S.r.l.

  公开号：EP1832575A1

  公开（公告）日：2007-09-12

  The present invention relates to novel thiosulfonates derivatives. The present invention also provides methods for preventing, treating and/or reducing inflammation-associated diseases in the cardiovascular, connective tissue, pulmonary, gastrointestinal, respiratory, urogenital, nervous or cutaneous systems as well as infective and tumoral diseases employing said compounds.

  本发明涉及新型的硫代硫酸盐衍生物。本发明还提供了使用所述化合物预防、治疗和/或减少心血管、结缔组织、肺、胃肠、呼吸、泌尿生殖、神经或皮肤系统以及感染性和肿瘤性疾病中的炎症相关疾病的方法。
• THIOSULFONATE ANTI-INFLAMMATORY AGENTS
  申请人：Del Soldato Piero

  公开号：US20090017003A1

  公开（公告）日：2009-01-15

  The present invention relates to novel thiosulfonates derivatives. The present invention also provides methods for preventing, treating and/or reducing inflammation-associated diseases in the cardiovascular, connective tissue, pulmonary, gastrointestinal, respiratory, urogenital, nervous or cutaneous systems as well as infective and tumoral diseases employing said compounds.

  本发明涉及新型硫代磺酸酯衍生物。本发明还提供了使用该化合物预防、治疗和/或减少心血管、结缔组织、肺、胃肠、呼吸、泌尿生殖、神经或皮肤系统中与炎症相关的疾病以及感染和肿瘤性疾病的方法。
• New sulfurated derivatives of valproic acid with enhanced histone deacetylase inhibitory activity
  作者：Elena Perrino、Graziella Cappelletti、Valerio Tazzari、Erminio Giavini、Piero Del Soldato、Anna Sparatore

  DOI：10.1016/j.bmcl.2008.02.007

  日期：2008.3

  One dithiolthione and two new methanethiosulfonate derivatives of valproic acid (VPA) were synthesized and tested in vitro as histone deacetylase (HDAC) inhibitors. The new molecules, as well as their sulfurated moieties, exhibited a much stronger inhibition of HDAC enzymatic and antiproliferative activities and histone hyperacetylation than VPA. ACS 2 is the most interesting compound among the new VPA derivatives and its sulfurated moiety, 5-(4-hydroxyphenyl)-3H-1,2-dithiole-3-thione, also known to be a metabolite of anethole trithione, seems to contribute significantly to its activity. This is the first time that HDAC inhibitory activity is described for dithiolethiones and thiosulfonates. (C) 2008 Elsevier Ltd. All rights reserved.
• [EN] THIOSULFONATE ANTI-INFLAMMATORY AGENTS<br/>[FR] AGENTS ANTI-INFLAMMATOIRES THIOSULFONATE
  申请人：SULFIDRIS S R L

  公开号：WO2007101606A1

  公开（公告）日：2007-09-13

  [EN] The present invention relates to novel thiosulfonates derivatives. The present invention also provides methods for preventing, treating and/or reducing inflammation-associated diseases in the cardiovascular, connective tissue, pulmonary, gastrointestinal, respiratory, urogenital, nervous or cutaneous systems as well as infective and tumoral diseases employing said compounds.
  [FR] La présente invention concerne de nouveaux dérivés de thiosulfonates. La présente invention concerne également des procédés de prévention, de traitement et/ou d'atténuation des maladies liées à une inflammation dans les tissus conjonctifs et les systèmes cardiovasculaire, pulmonaire, gastro-intestinal, respiratoire, urogénital, nerveux ou cutané ainsi que des maladies infectieuses ou tumorales, qui utilisent lesdits composés.