N-(6-Ethoxy-benzothiazol-2-yl)-benzamide | 4939-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-(6-Ethoxy-benzothiazol-2-yl)-benzamide
• 英文别名: N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
• CAS: 4939-03-1
• 化学式: C₁₆H₁₄N₂O₂S
• mdl: MFCD00606697
• 分子量: 298.365
• InChiKey: RXUWFOLMJIDNMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 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：
  79.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨基-6-乙氧基苯并噻唑 、 苯甲酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N-(6-Ethoxy-benzothiazol-2-yl)-benzamide
  参考文献：
  名称：

  Identification of small-molecule inhibitors of the Aβ–ABAD interaction

  摘要：

  The interaction of amyloid beta peptide (A beta) and A beta-binding alcohol dehydrogenase (ABAD) was recently implicated in the pathogenesis of Alzheimer's disease (AD). Using an ELISA-based screening assay, we identified frentizole, an FDA-approved immunosuppressive drug, as a novel inhibitor of the A beta-ABAD interaction. Analysis of the frentizole structure-activity relationship led to identification of a novel benzothiazole urea with a 30-fold improvement in potency. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.099

文献信息

• TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY
  申请人：Wynne Graham Michael

  公开号：US20090075938A1

  公开（公告）日：2009-03-19

  There are disclosed compound of Formula (1): A 1 , A 2 , A 3 and A 4 which may be the same or different, represent N or CR 1 , X is a divalent group selected from O, S(O) n , C═W, NR 4 , NC(═O)R 5 and CR 6 R 7 , W is O, S, NR 20 , Y is N or CR 8 , one of R 4 , R 5 , R 6 , R 8 , R 9 and NR 20 represents -L-R 3 , in which L is a single bond or a linker group, additionally, R 1 , R 3 -R 9 , which may be the same or different, independently represent hydrogen or a substituent and R 20 represents hydrogen, hydroxyl, alkyl optionally substituted by aryl, alkoxy optionally substituted by aryl, aryl, CN, optionally substituted alkoxy, optionally substituted aryloxy, optionally substitute alkanoyl, optionally substituted aroyl, NO 2 , NR 30 R 31 , in which R 30 and R 31 , which may be the same or different, represent hydrogen, optionally substituted alkyl or optionally substituted aryl; additionally, one of R 30 and R 31 may represent optionally substituted alkanoyl or optionally substituted aroyl, n represents an integer from 0 to 2, in addition, when an adjacent pair of A 1 -A 4 each represent CR 1 , then the adjacent carbon atoms, together with their substituents may form a ring B, when X is CR 6 R 7 , R 6 and R 7 , together with the carbon atom to which they are attached may form a ring C, or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for the therapeutic and/or prophylactic treatment of Duchenne muscular dystrophy, Becker muscular dystrophy or cachexia.

  公式（1）的化合物被揭示：A1，A2，A3和A4，它们可以相同或不同，代表N或CR1，X是从O，S（O）n，C═W，NR4，NC（═O）R5和CR6R7中选择的二价基团，W是O，S，NR20，Y是N或CR8，R4，R5，R6，R8，R9和NR20中的一个表示-L-R3，在其中L是单键或连接基团，此外，R1，R3-R9可以相同或不同，独立地表示氢或取代基，R20表示氢，羟基，可以用芳基取代的烷基，可以用芳基取代的烷氧基，芳基，CN，可以用芳基取代的烷氧基，可以用芳基取代的芳氧基，可以用取代基取代的烷酰基，可以用取代基取代的芳酰基，NO2，NR30R31，在其中R30和R31可以相同或不同，表示氢，可选地取代的烷基或可选地取代的芳基；此外，R30和R31中的一个可以表示可选地取代的烷酰基或可选地取代的芳酰基，n表示从0到2的整数，另外，当相邻的A1-A4中的一对表示CR1时，那么相邻的碳原子及其取代基可以形成环B，当X为CR6R7时，R6和R7与它们附着的碳原子一起可以形成环C，或其药学上可接受的盐，在制造用于治疗和/或预防杜氏肌萎缩症，贝克肌萎缩症或消瘦症的药物时使用。
• Drug Combinations for the Treatment of Duchenne Muscular Dystrophy
  申请人：Wynne Graham Michael

  公开号：US20110195932A1

  公开（公告）日：2011-08-11

  Combinations comprising (or consisting essentially of) one or more compounds of formula (1) with one or more ancillary agents, to processes for preparing the combinations, and to various therapeutic uses of the combinations. Also provided are pharmaceutical compositions containing the combinations as well as a method of treatment of Duchenne muscular dystrophy, Becker muscular dystrophy or cachexia using the combinations.

  本发明涉及与一种或多种化合物（1）的一个或多个辅助剂组合的组合物，以制备这些组合物的过程，以及这些组合物的各种治疗用途。还提供了包含这些组合物的制药组合物，以及使用这些组合物治疗杜氏肌营养不良症、贝克肌营养不良症或消瘦的方法。
• DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY
  申请人：Summit Corporation PLC

  公开号：US20140011782A1

  公开（公告）日：2014-01-09

  Combinations comprising (or consisting essentially of) one or more compounds of formula (1) with one or more ancillary agents, to processes for preparing the combinations, and to various therapeutic uses of the combinations. Also provided are pharmaceutical compositions containing the combinations as well as a method of treatment of Duchenne muscular dystrophy, Becker muscular dystrophy or cachexia using the combinations.

  该专利涉及包含（或基本上由）一个或多个式（1）化合物和一个或多个辅助剂的组合物，以及制备这些组合物的方法，以及这些组合物的各种治疗用途。此外，还提供了包含这些组合物的药物组合物以及使用这些组合物治疗杜兴肌肉萎缩症，贝克肌肉萎缩症或消瘦症的方法。
• US8501713B2
  申请人：——

  公开号：US8501713B2

  公开（公告）日：2013-08-06
• US8518980B2
  申请人：——

  公开号：US8518980B2

  公开（公告）日：2013-08-27