3-(3-hydroxyphenyl)thieno[2,3-d]isoxazole | 110894-91-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-(3-hydroxyphenyl)thieno[2,3-d]isoxazole
• 英文别名: 3-thieno[2,3-d]isoxazol-3-yl-phenol；3-thieno[2,3-d][1,2]oxazol-3-ylphenol
• CAS: 110894-91-2
• 化学式: C₁₁H₇NO₂S
• 分子量: 217.248
• InChiKey: VSRSVHOBLZGJIS-UHFFFAOYSA-N

物化性质

• 沸点：
  445.8±35.0 °C(Predicted)
• 密度：
  1.422±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(3-hydroxyphenyl)thieno[2,3-d]isoxazole 在 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 生成 3-thieno[2,3-d]isoxazol-3-yl-phenol sodium salt
  参考文献：
  名称：

  THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS

  摘要：

  公开号：

  EP1216249B1
• 作为产物：
  描述：

  3-(3-methoxyphenyl)thieno[2,3-d]isoxazole 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 2.3h， 以99%的产率得到3-(3-hydroxyphenyl)thieno[2,3-d]isoxazole
  参考文献：
  名称：

  THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS

  摘要：

  公开号：

  EP1216249B1

文献信息

• Antihypertensive thieno-isoxazoles and -pyrazoles
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04728651A1

  公开（公告）日：1988-03-01

  There are described compounds of the formula ##STR1## where X is O or NR, R being hydrogen or loweralkyl; R.sub.1 is hydrogen; and R.sub.2 is loweralkyl, arylloweralkyl, aryloxyloweralkyl or loweralkyl substituted with ##STR2## or alternatively --NR.sub.1 R.sub.2 taken together is ##STR3## R.sub.3 being arylloweralkyl or a pharmaceutically acceptable acid addition salt thereof, which are useful as ocular or systemic antihypertensive agents.

  描述了式子##STR1##的化合物，其中X为O或NR，R为氢或低碳基；R.sub.1为氢；R.sub.2为低碳基，芳基低碳基，芳氧基低碳基或被##STR2##取代的低碳基，或者--NR.sub.1 R.sub.2取在一起为##STR3##，其中R.sub.3为芳基低碳基或其药学上可接受的酸加盐，这些化合物可作为眼部或全身抗高血压药物使用。
• Intermediate thieno-isoxazoles and -pyrazoles and
  申请人：Hoechst-Roussel Pharmaceuticals, Inc.

  公开号：US04769472A1

  公开（公告）日：1988-09-06

  There are described compounds of the formula ##STR1## where X is O or NR, R being hydrogen or loweralkyl; R.sub.1 is hydrogen; and R.sub.2 is loweralkyl, arylloweralkyl, aryloxyloweralkyl or loweralkyl substituted with ##STR2## or alternatively--NR.sub.1 R.sub.2 taken together is ##STR3## R.sub.3 being arylloweralkyl or a pharmaceutically acceptable acid addition salt thereof, which are useful as ocular or systemic antihypertensive agents. There are also described intermediate compounds having the formula ##STR4## where X is oxygen or NR, R being hydrogen or loweralkyl; and Y is --OCH.sub.3, --OH or ##STR5## as well as intermediate compounds of the formula ##STR6## where Z is oxygen, NOH or NNHR.sub.4, R.sub.4 being hydrogen or loweralkyl.

  描述了具有以下化学式的化合物：##STR1## 其中X为O或NR，R为氢或低碳基；R.sub.1为氢；R.sub.2为低碳基、芳基低碳基、芳氧基低碳基或被##STR2##取代的低碳基，或者--NR.sub.1 R.sub.2共同为##STR3##，其中R.sub.3为芳基低碳基或其药学上可接受的酸盐，可用作眼部或全身抗高血压剂。还描述了具有以下化学式的中间体：##STR4## 其中X为氧或NR，R为氢或低碳基；Y为--OCH.sub.3、--OH或##STR5##，以及具有以下化学式的中间体：##STR6## 其中Z为氧、NOH或NNHR.sub.4，R.sub.4为氢或低碳基。
• Thienoisoxazolyl-and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US07125903B1

  公开（公告）日：2006-10-24

  The compounds are of the class thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives, useful as D4 antagonists. Said compounds are useful for the treatment of medical conditions mediated by inhibition of D4 receptor. These conditions comprise, for example, Attention Deficit Hyperactivity Disorder, Obsessive-Compulsive Disorder, Psychoses, Substance Abuse, Substance Dependence, Parkinson's Disease, Parkinsonism, Tardive Diskinesia, Gilles de la Tourette Syndrome, Conduct Disorder, and Oppositional Defiant Disorder. A further aspect of the invention is to provide a pharmaceutical composition, intermediates, and a method of making said class of compounds.

  这些化合物属于thienoisoxazolyl-和thienylpyrrazolyl-phenoxy取代的丙基衍生物类，可用作D4拮抗剂。这些化合物可用于治疗通过抑制D4受体介导的医疗状况。这些状况包括，例如，注意力缺陷多动障碍、强迫症、精神病、物质滥用、物质依赖、帕金森病、帕金森综合症、迟发性运动障碍、吉尔斯·德·拉图雷综合症、行为障碍和反抗性障碍。本发明的另一个方面是提供一种制药组合物、中间体和制备该类化合物的方法。
• THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS
  申请人：Fink M. David

  公开号：US20070004695A1

  公开（公告）日：2007-01-04

  The compounds are of the class thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives, useful as D 4 antagonists. Said compounds are useful for the treatment of medical conditions mediated by inhibition of D 4 receptor. These conditions comprise, for example, Attention Deficit Hyperactivity Disorder, Obsessive-Compulsive Disorder, Psychoses, Substance Abuse, Substance Dependence, Parkinson's Disease, Parkinsonism, Tardive Diskinesia, Gilles de la Tourette Syndrome, Conduct Disorder, and Oppositional Defiant Disorder. A further aspect of the invention is to provide a pharmaceutical composition, intermediates, and a method of making said class of compounds.

  这些化合物属于类别为噻唑异噁唑基和噻吩吡唑基苯氧基取代的丙基衍生物，可用作D4受体拮抗剂。这些化合物可用于治疗通过抑制D4受体介导的医疗状况。这些状况包括例如注意力缺陷多动障碍、强迫症、精神病、物质滥用、物质依赖、帕金森病、帕金森综合症、迟发性运动障碍、吉尔·德·拉·图雷特综合症、行为障碍和反抗行为障碍。发明的另一个方面是提供一种制药组合物、中间体和制备该类化合物的方法。
• Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists
  申请人：Aventis Hoklings Inc.

  公开号：US07511046B2

  公开（公告）日：2009-03-31

  The compounds are of the class thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives, useful as D4 antagonists. Said compounds are useful for the treatment of medical conditions mediated by inhibition of D4 receptor. These conditions comprise, for example, Attention Deficit Hyperactivity Disorder, Obsessive-Compulsive Disorder, Psychoses, Substance Abuse, Substance Dependence, Parkinson's Disease, Parkinsonism, Tardive Diskinesia, Gilles de la Tourette Syndrome, Conduct Disorder, and Oppositional Defiant Disorder. A further aspect of the invention is to provide a pharmaceutical composition, intermediates, and a method of making said class of compounds.

  这些化合物属于thienoisoxazolyl和thienylpyrrazolyl-phenoxy取代的丙基衍生物类，可用作D4拮抗剂。这些化合物可用于治疗通过D4受体抑制介导的医疗状况。这些状况包括：注意力缺陷多动障碍、强迫症、精神病、物质滥用、物质依赖、帕金森病、帕金森综合症、迟发性运动障碍、吉尔斯·德·拉·图雷特综合症、行为障碍和反抗性障碍。该发明的另一个方面是提供一种药物组合物、中间体和制备该类化合物的方法。