[4-(4-methoxy-phenyl)-thiazol-2-yl]-guanidine; monohydrobromide | 96996-05-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [4-(4-methoxy-phenyl)-thiazol-2-yl]-guanidine; monohydrobromide
• 英文别名: N-[4-(4-methoxyphenyl)-thiazol-2-yl]-guanidine hydrobromide；<4-(4-Methoxy-phenyl)-thiazol-2-yl>-guanidine-hydrobromide；1-(4-(4-Methoxyphenyl)thiazol-2-yl)guanidine hydrobromide；2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
• CAS: 96996-05-3
• 化学式: BrH*C₁₁H₁₂N₄OS
• 分子量: 329.22
• InChiKey: JGGSSYXNIPKSJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  脒基硫脲 、 alpha-溴-4-甲氧基苯乙酮 以 丙酮 为溶剂， 以74%的产率得到[4-(4-methoxy-phenyl)-thiazol-2-yl]-guanidine; monohydrobromide
  参考文献：
  名称：

  [EN] MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS
  [FR] INHIBITEURS DE PHOSPHATASE DE CHAÎNE LÉGÈRE DE MYOSINE

  摘要：

  新型肌球蛋白轻链磷酸酶抑制剂，含有它们的组合物，制备和使用它们的方法，以及使用荧光肌球蛋白轻链磷酸酶抑制剂的方法被描述。

  公开号：

  WO2009146013A1

文献信息

• Antiulcer agents. 4-Substituted 2-guanidinothiazoles: reversible, competitive, and selective inhibitors of gastric H+,K+-ATPase
  作者：John L. LaMattina、Peter A. McCarthy、Lawrence A. Reiter、William F. Holt、Li An Yeh

  DOI：10.1021/jm00164a012

  日期：1990.2

  A series of 4-substituted 2-guanidinothiazoles has been found to inhibit the gastric proton-pump enzyme H+,K(+)-ATPase. In general, these compounds were reversible inhibitors of canine gastric H+,K(+)-ATPase, competitive at the K+ site, and selective relative to canine renal Na+,K(+)-ATPase. Structure-activity relationship (SAR) studies on this series revealed no general replacement for the guanidinothiazole. On the other hand, use of pyrrolyl, phenyl, and indolyl groups as the C-4 substituent yielded active compounds. Extensive studies of substitution patterns on these 4-aryl groups led to more active compounds, but no consistent SAR became apparent. Monosubstitution of the guanidine and substitution of the thiazole at C-5 both often led to increased activity, but combining these changes generated compounds less active than the parents. Despite 100-fold improvement in in vitro inhibitory potency, only a 3-fold increase in gastric antisecretory activity in rats was observed for these agents.
• YANAGISAVA, ISAO
  作者：YANAGISAVA, ISAO

  DOI：——

  日期：——
• JPS59225172A
  申请人：——

  公开号：JPS59225172A

  公开（公告）日：1984-12-18
• NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME
  申请人：Hahn Hoh-Gyu

  公开号：US20100179201A1

  公开（公告）日：2010-07-15

  The present invention relates to novel thiazole-based compounds and T-type calcium channel inhibitors containing the compound. The T-type calcium channel inhibitor of the present invention is useful as a treating agent for disease associated with overexpression of T-type calcium channel.
• US8143296B2
  申请人：——

  公开号：US8143296B2

  公开（公告）日：2012-03-27