4-(5-chloro-2,4-dihydroxyphenyl)-5-(4-ethoxyphenyl)-1,2,3-thiadiazole | 1141896-18-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(5-chloro-2,4-dihydroxyphenyl)-5-(4-ethoxyphenyl)-1,2,3-thiadiazole
• 英文别名: 4-Chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol；4-chloro-6-[5-(4-ethoxyphenyl)thiadiazol-4-yl]benzene-1,3-diol
• CAS: 1141896-18-5
• 化学式: C₁₆H₁₃ClN₂O₃S
• 分子量: 348.81
• InChiKey: RFRZSMIYYCXYNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-ethoxyphenyl)-ethanone hydrazone 在 氯化亚砜 、 碳酸氢钠 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以80%的产率得到4-(5-chloro-2,4-dihydroxyphenyl)-5-(4-ethoxyphenyl)-1,2,3-thiadiazole
  参考文献：
  名称：

  5-Aryl-4-(5-substituted-2,4-dihydroxyphenyl)-1,2,3-thiadiazoles as inhibitors of Hsp90 chaperone

  摘要：

  A series of 5-aryl-4-(5-substituted-2,4-dihydroxyphenyl)-1,2,3-thiadiazoles were synthesized and their binding to several constructs of human Hsp90 chaperone measured by isothermal titration calorimetry (ITC). The most potent compound bound Hsp90 with the dissociation constant of about 5 nM. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.003

文献信息

• 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF
  申请人：Matulis Daumantas

  公开号：US20110046387A1

  公开（公告）日：2011-02-24

  Invention is related to novel compounds -5-aryl-4-(5-substituted 2,4-dihydroxyphenyl)-1,2,3-thiadiazoles with general formula (I). The compounds can be used in biomedicine as active ingredients in pharmaceutical formulations, because they inhibit Hsp90 chaperone which participate in cancer progression. This invention is also related to new intermediate compounds which are used for the synthesis of thiadiazoles of general formula (I).

  本发明涉及新化合物-5-芳基-4-(5-取代2,4-二羟基苯基)-1,2,3-噻二唑，其通式为(I)。这些化合物可用于生物医学领域，作为药物制剂中的活性成分，因为它们抑制参与癌症进展的Hsp90伴侣蛋白。本发明还涉及用于合成通式(I)的噻二唑的新中间体化合物。
• [EN] 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF<br/>[FR] 5-ARYL-4-(2,4-DIHYDROXYPHÉNYL-5-SUBSTITUÉ)-1,2,3-THIADIAZOLES UTILISÉS EN TANT QU'INHIBITEURS DE LA PROTÉINE CHAPERON HSP90 ET INTERMÉDIAIRES POUR LA PRÉPARATION DE CEUX-CI
  申请人：BIOTECHNOLOGIJOS INST

  公开号：WO2009134110A1

  公开（公告）日：2009-11-05

  Invention is related to novel compounds - 5-aryl-4-(5-substituted 2,4-dihydroxyphenyl)-1,2,3-thiadiazoles with general formula (I). The compounds can be used in biomedicine as active ingredients in pharmaceutical formulations, because they inhibit Hsp90 chaperone which participate in cancer progression. This invention is also related to new intermediate compounds which are used for the synthesis of thiadiazoles of general formula (I).

  本发明涉及新型化合物-通式为（I）的5-芳基-4-（5-取代的2,4-二羟基苯基）-1,2,3-噻二唑。该化合物可用于生物医学中作为制药配方中的活性成分，因为它们抑制Hsp90伴侣蛋白，参与癌症进展。本发明还涉及用于合成通式（I）噻二唑的新中间体化合物。
• US8314132B2
  申请人：——

  公开号：US8314132B2

  公开（公告）日：2012-11-20