3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-benzoic acid
• 英文别名: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
• 化学式: C₁₅H₉FN₂O₃
• 分子量: 284.246
• InChiKey: VLYKUBPJIVPNJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-benzoic acid methyl ester 在 lithium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 6.0h， 生成 3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-benzoic acid
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS
  [FR] COMPOSES HETEROCYCLIQUES UTILES EN TANT QU'ACTIVATEURS DE NURR-1

  摘要：

  本发明涉及以下化合物的公式（I）：其中R1是羟基，C1-4烷氧基，氨基，C1-4烷基氨基，二甲基胺基，苄氧基或C2-C7烷酰基，R2是C1-4烷基，C1-4烷氧基，C1-4烷氧基C1-4烷氧基，CF3，卤素，C1-4烷基氨基，二C1-4烷基胺基，二C1-4烷基胺基C1-4烷氧基或N-C1-4烷氧基C1-4烷基-N-C1-4烷基胺基，N-C1-4烷基哌嗪基，吗啉基或吡咯啉基-C1-4烷氧基，其中R2中的C1-4烷基基团可以进一步被C1-4烷基，卤素，氰基，氨基，烷氧基或烷基硫基取代，X是N或O，Y是N，O或CH，Z是N或CH，W是N或CH，但前提是（a）当R2是CF3，X是O，Y是CH，Z是N，W是CH时，R1不是羟基或C1-4烷氧基，（b）当R2是CF3或氯时，X是N，Y是O，Z是CH，W是CH时，R1不是羟基或C1-4烷氧基，（c）当R2是CF3，X是O，Y是N，Z是CH，W是CH时，R1不是羟基，（d）X和Y不同时是O，以及它们的盐；它们的制备，其用途以及含有它们的药物组合物。

  公开号：

  WO2004072050A1

文献信息

• Heterocyclic compounds useful as nurr-1 activators
  申请人：Hintermann Samuel

  公开号：US20060089365A1

  公开（公告）日：2006-04-27

  The present invention relates to compounds of formula (I): wherein R 1 is hydroxy, C 1-4 alkoxy, amino, C 1-4 alkyl-amino, di C 1-4 alkylamino, benzyloxy or C 2 -C 7 alkanoyl, R 2 is C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkoxy C 1-4 alkoxy, CF 3 , halogen, C 1-4 alkylamino, di C 1-4 alkylamino, di C 1-4 alkylamino C 1-4 alkoxy or N—C 1-4 alkoxy C 1-4 alkyl-N—C 1-4 alkylamino, N—C 1-4 alkyl-piperazinyl, morpholinyl or pyrrolidinyl-C 1-4 alkoxy, wherein the C 1-4 alkyl radicals in R 2 are optionally further substituted by C 1-4 alkyl, halogen, cyano, amino, alkoxy or alkylthio, X is N or O, Y is N, O or CH, Z is N or CH, and W is N or CH, provided that (a) R 1 is not hydroxy or C 1-4 alkoxy when R 2 is CF 3 , X is O, Y is CH, Z is N and W is CH, (b) R 1 is not hydroxy or C 1-4 alkoxy when R 2 is CF 3 or chloro, X is N, Y is O, Z is CH and W is CH, (c) R 1 is not hydroxy when R 2 is CF 3 , X is O, Y is N, Z is CH and W is CH and (d) X and Y are not simultaneously O, the salts thereof; their preparation, their use and pharmaceutical compositions containing them.

  本发明涉及式(I)的化合物：其中R1为羟基、C1-4烷氧基、氨基、C1-4烷基氨基、二个C1-4烷基氨基、苄氧基或C2-C7烷酰基，R2为C1-4烷基、C1-4烷氧基、C1-4烷氧基C1-4烷氧基、CF3、卤素、C1-4烷基氨基、二个C1-4烷基氨基、二个C1-4烷基氨基C1-4烷氧基或N-C1-4烷氧基C1-4烷基-N-C1-4烷基氨基、N-C1-4烷基哌嗪基、吗啉基或吡咯烷基-C1-4烷氧基，其中R2中的C1-4烷基基团可以选择进一步取代为C1-4烷基、卤素、氰基、烷氧基或烷基硫醚，X为N或O，Y为N、O或CH，Z为N或CH，W为N或CH，条件是(a)当R2为 ，X为O，Y为CH，Z为N，W为CH时，R1不是羟基或C1-4烷氧基，(b)当R2为 或氯时，X为N，Y为O，Z为CH，W为CH时，R1不是羟基或C1-4烷氧基，(c)当R2为 ，X为O，Y为N，Z为CH，W为CH时，R1不是羟基，(d)X和Y不同时为O，以及它们的盐；它们的制备、使用以及含有它们的制药组合物。
• Compounds for Nonsense Suppression, and Methods for Their Use
  申请人：Almstead Neil G.

  公开号：US20090253699A1

  公开（公告）日：2009-10-08

  The present invention relates to methods, compounds, and compositions for treating or preventing diseases associated with nonsense mutations in an mRNA by administering the compounds or compositions of the present invention. More particularly, the present invention relates to methods, compounds, and compositions for suppressing premature translation termination associated with a nonsense mutation in an mRNA.

  本发明涉及使用本发明的化合物或组合物治疗或预防与mRNA中无意义突变相关的疾病的方法、化合物和组合物。更具体地，本发明涉及用于抑制与mRNA中无意义突变相关的早期翻译终止的方法、化合物和组合物。
• METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH
  申请人：Almstead Neil G.

  公开号：US20110046136A1

  公开（公告）日：2011-02-24

  The present invention relates to functional proteins encoded by nucleic acid sequences comprising a nonsense mutation. The present invention also relates to methods for the production of functional proteins encoded by nucleic acid sequences comprising a nonsense mutation and the use of such proteins for prevention, management and/or treatment of diseases associated with a nonsense mutation(s) in a gene.

  本发明涉及由核酸序列编码的功能性蛋白质，其中包括一个无意义突变。本发明还涉及用于生产由包含无意义突变的核酸序列编码的功能性蛋白质的方法，以及利用这些蛋白质预防、管理和/或治疗与基因中的无意义突变相关的疾病。
• Heterocyclic compounds useful as Nurr-1 activators
  申请人：Novartis AG

  公开号：US07432293B2

  公开（公告）日：2008-10-07

  The present invention relates to compounds of formula (I): wherein R1 is hydroxy, C1-4 alkoxy, amino, C1-4 alkyl-amino, di C1-4alkylamino, benzyloxy or C2-C7 alkanoyl, R2 is C1-4 alkyl, C1-4 alkoxy, C1-4 alkoxy C1-4alkoxy, CF3, halogen, C1-4alkylamino, di C1-4alkylamino, di C1-4 alkylamino C1-4 alkoxy or N—C1-4 alkoxy C1-4 alkyl-N—C1-4 alkylamino, N—C1-4 alkyl-piperazinyl, morpholinyl or pyrrolidinyl-C1-4 alkoxy, wherein the C1-4 alkyl radicals in R2 are optionally further substituted by C1-4 alkyl, halogen, cyano, amino, alkoxy or alkylthio, X is N or O, Y is N, O or CH, Z is N or CH, and W is N or CH, provided that (a) R1 is not hydroxy or C1-4 alkoxy when R2 is CF3, X is O, Y is CH, Z is N and W is CH, (b) R1 is not hydroxy or C1-4 alkoxy when R2 is CF3 or chloro, X is N, Y is O, Z is CH and W is CH, (c) R1 is not hydroxy when R2 is CF3, X is O, Y is N, Z is CH and W is CH and (d) X and Y are not simultaneously O, the salts thereof; their preparation, their use and pharmaceutical compositions containing them.

  本发明涉及式（I）化合物：其中R1为羟基，C1-4烷氧基，氨基，C1-4烷基氨基，二C1-4烷基氨基，苄氧基或C2-C7脂肪酰基，R2为C1-4烷基，C1-4烷氧基，C1-4烷氧基C1-4烷氧基，CF3，卤素，C1-4烷基氨基，二C1-4烷基氨基，二C1-4烷基氨基C1-4烷氧基或N-C1-4烷氧基C1-4烷基-N-C1-4烷基氨基，N-C1-4烷基哌嗪基，吗啉基或吡咯烷基-C1-4烷氧基，其中R2中的C1-4烷基基团可选择性地进一步被C1-4烷基，卤素，氰基，氨基，烷氧基或烷基硫基取代，X为N或O，Y为N，O或CH，Z为N或CH，W为N或CH，前提是（a）当R2为 ，X为O，Y为CH，Z为N且W为CH时，R1不是羟基或C1-4烷氧基，（b）当R2为 或氯时，X为N，Y为O，Z为CH且W为CH时，R1不是羟基或C1-4烷氧基，（c）当R2为 ，X为O，Y为N，Z为CH且W为CH时，R1不是羟基，（d）X和Y不同时为O，其盐；它们的制备，它们的用途以及含有它们的制药组合物。
• METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH
  申请人：PTC THERAPEUTICS, INC

  公开号：US20160199357A1

  公开（公告）日：2016-07-14

  The present invention relates to functional proteins encoded by nucleic acid sequences comprising a nonsense mutation. The present invention also relates to methods for the production of functional proteins encoded by nucleic acid sequences comprising a nonsense mutation and the use of such proteins for prevention, management and/or treatment of diseases associated with a nonsense mutation(s) in a gene.

  本发明涉及由包含无意义突变的核酸序列编码的功能蛋白质。本发明还涉及用于生产由包含无意义突变的核酸序列编码的功能蛋白质的方法，并使用这些蛋白质预防、管理和/或治疗与基因中的无意义突变相关的疾病。