2-(1-acetonylthio)-5-methylthiazolo(2,3-b)-1,3,4-thiadiazolium perchlorate | 122841-09-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(1-acetonylthio)-5-methylthiazolo(2,3-b)-1,3,4-thiadiazolium perchlorate
• 英文别名: 5-Methyl-2-[(2-oxopropyl)sulfanyl][1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium perchlorate；1-[(5-methyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)sulfanyl]propan-2-one;perchlorate
• CAS: 122841-09-2
• 化学式: C₈H₉N₂OS₃*ClO₄
• 分子量: 344.821
• InChiKey: VDKILYNGSUZCJQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.82
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  190
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  在 硫酸 、 高氯酸 作用下， 反应 1.5h， 以190 mg的产率得到2-(1-acetonylthio)-5-methylthiazolo(2,3-b)-1,3,4-thiadiazolium perchlorate
  参考文献：
  名称：

  3-Substituted Imidazo[1,2-d][1,2,4]-thiadiazoles:  A Novel Class of Factor XIIIa Inhibitors

  摘要：

  A new class of selective FXIIIa inhibitors with a bicyclic [1,2,4]-thiadiazole pharmacophore is described. At 160 mu M, compound 8 caused 50% reduction in fibrin gamma-chain cross-linking and suppressed the polymerization of a chains in platelet-depleted human plasma clots. Fibrinolysis rates in response to tissue plasminogen activator were directly proportional to the concentration of 8 in plasma at the time of clotting.

  DOI：

  10.1021/jm049221w

文献信息

• Factor XIIIa inhibitor compounds useful for thrombolytic therapy
  申请人：MERCK & CO. INC.

  公开号：EP0294016A2

  公开（公告）日：1988-12-07

  Certain Factor XIIIa inhibitor compounds have been discovered which have been found to be useful in the lysis of blood clots and thus adaptable for administration in thrombolytic therapy either alone or together with plasminogen activator.

  现已发现某些因子 XIIIa 抑制剂化合物可用于溶解血凝块，因此可单独或与纤溶酶原激活剂一起用于溶栓治疗。
• US4968494A
  申请人：——

  公开号：US4968494A

  公开（公告）日：1990-11-06
• US5185149A
  申请人：——

  公开号：US5185149A

  公开（公告）日：1993-02-09
• US5188830A
  申请人：——

  公开号：US5188830A

  公开（公告）日：1993-02-23
• 3-Substituted Imidazo[1,2-<i>d</i>][1,2,4]-thiadiazoles:  A Novel Class of Factor XIIIa Inhibitors
  作者：Regis Leung-Toung、Tim F. Tam、Jolanta M. Wodzinska、Yanqing Zhao、Jayme Lowrie、Craig D. Simpson、Khashayar Karimian、Michael Spino

  DOI：10.1021/jm049221w

  日期：2005.4.1

  A new class of selective FXIIIa inhibitors with a bicyclic [1,2,4]-thiadiazole pharmacophore is described. At 160 mu M, compound 8 caused 50% reduction in fibrin gamma-chain cross-linking and suppressed the polymerization of a chains in platelet-depleted human plasma clots. Fibrinolysis rates in response to tissue plasminogen activator were directly proportional to the concentration of 8 in plasma at the time of clotting.