4,5-Tetramethylenisoxazol | 5626-82-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,5-Tetramethylenisoxazol
• 英文别名: 4,5,6,7-Tetrahydro-1,2-benzisoxazol；4,5,6,7-Tetrahydro-benzisoxazol；4,5,6,7-tetrahydro-benzo[d]isoxazole；4,5,6,7-tetrahydro-benz[d]isoxazole；4,5,6,7-Tetrahydro-benz[d]isoxazol；4,5,6,7-Tetrahydrobenzisoxazole；4,5,6,7-tetrahydro-1,2-benzoxazole
• CAS: 5626-82-4
• 化学式: C₇H₉NO
• 分子量: 123.155
• InChiKey: ZIODHUMVFOUCOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-Tetramethylenisoxazol 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 N-Ethyl-3.4.5.6-tetrahydro-2-acetoxybenzamid
  参考文献：
  名称：

  肽合成中改进的异恶唑鎓盐试剂—I

  摘要：

  描述了针对用于肽合成的更好和更实用的异恶唑鎓盐试剂的设计和开发的模型研究。

  DOI：

  10.1016/s0040-4020(01)92755-3
• 作为产物：
  描述：

  2-(Piperidinomethylen)-1-cyclohexanon 在 盐酸羟胺 作用下， 以 水 为溶剂， 反应 2.0h， 生成 4,5-Tetramethylenisoxazol
  参考文献：
  名称：

  肽合成中改进的异恶唑鎓盐试剂—I

  摘要：

  描述了针对用于肽合成的更好和更实用的异恶唑鎓盐试剂的设计和开发的模型研究。

  DOI：

  10.1016/s0040-4020(01)92755-3

文献信息

• HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES
  申请人：Dolente Cosimo

  公开号：US20110275801A1

  公开（公告）日：2011-11-10

  The present invention provides heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes of formula I wherein R 1 , R 2 and R 3 are as described herein. The compounds according to the invention act as V1a receptor modulators, and in particular as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use as medicaments. The active compounds of the present invention are useful as therapeutics acting peripherally and centrally in the conditions of dysmenorrhea, male or female sexual dysfunction, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, and aggressive behavior.

  本发明提供了式I的杂芳基-环己基-四氮杂苯并[e]氮杂蒽衍生物， 其中R1、R2和R3如本文所述。 根据发明的化合物作为V1a受体的调节剂，尤其是作为V1a受体拮抗剂，它们的制造，含有它们的药物组合物以及它们作为药物的使用。本发明的活性化合物作为治疗剂，在痛经、男性或女性性功能障碍、高血压、慢性心力衰竭、不适当分泌血管升压素、肝硬化、肾病综合征、焦虑、抑郁障碍、强迫症、孤独症谱系障碍、精神分裂症和侵略性行为的条件中，在周围和中心发挥作用。
• Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150307465A1

  公开（公告）日：2015-10-29

  In its many embodiments, the present invention provides certain iminothiadiazine dioxide compounds, including compounds Formula (I): and include stereoisomers thereof, and pharmaceutically acceptable salts of said compounds stereoisomers, wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 9 , ring A, ring B, m, n, p, -L 1 -, -L 2 -, and -L 3 - is selected independently and as defined herein. The novel iminothiadiazine dioxide compounds of the invention have surprisingly been found to exhibit properties which are expected to render them advantageous as BACE inhibitors and/or for the treatment and prevention of various pathologies related to β-amyloid (“Aβ”) production. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimer's disease, are also disclosed.

  本发明提供了多种形式的亚氨基噻二唑二氧化物化合物，包括公式(I)的化合物： 包括它们的立体异构体，以及所述立体异构体的药用可接受盐，其中R1、R2、R3、R4、R5、R9、环A、环B、m、n、p、-L1-、-L2-和-L3-都是独立选择且按本文定义。发明的新型亚氨基噻二唑二氧化物化合物出人意料地被发现具有预期的特性，使其作为BACE抑制剂以及/或用于治疗和预防与β-淀粉样蛋白（“Aβ”）生成相关的各种病理学具有优势。还公开了包含一个或多个此类化合物（单独使用和与一个或多个其他活性成分组合使用）的药物组合物，以及它们的制备方法和用于治疗与淀粉样β（Aβ）蛋白相关的病理学，包括阿尔茨海默病的方法。
• Heterocyclyl-substituted benzoylcyclohexandiones, their preparation, and their use as herbicides
  申请人：——

  公开号：US20020173424A1

  公开（公告）日：2002-11-21

  There are described benzoylcyclohexanediones of the formula I, their preparation, and their use as herbicides and plant growth regulators. 1 In this formula (I), R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R a , R b and R c are various radicals, and Y and Z are a monoatomic bridge element.

  该公式描述了式I的苯甲酰环己二酮，它们的制备以及它们作为除草剂和植物生长调节剂的用途。 在这个公式（I）中，R1，R2，R3，R4，R5，R6，R7，Ra，Rb和Rc是各种基团，Y和Z是单原子桥元素。
• TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF
  申请人：JAPAN TOBACCO INC.

  公开号：US20160137639A1

  公开（公告）日：2016-05-19

  A compound represented by Formula [I]: or pharmaceutically acceptable salt thereof, wherein each symbol is as defined in the description.

  由式[I]表示的化合物： 或其药学上可接受的盐，其中每个符号如描述中所定义。
• [EN] IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE<br/>[FR] COMPOSÉS DE TYPE DIOXYDE D'IMINO-THIADIAZINE UTILISÉS EN TANT QU'INHIBITEURS DE BACE, COMPOSITIONS EN CONTENANT ET LEUR UTILISATION
  申请人：SCHERING CORP

  公开号：WO2011044187A1

  公开（公告）日：2011-04-14

  In its many embodiments, the present invention provides provides certain iminothiadiazine dioxide compounds, including compounds Formula (a) and include tautomers, solvates, prodrugs, esters, and deuterates thereof, and pharmaceutically acceptable salts of said compounds, tautomers, solvates, prodrugs, esters, and deuterates, wherein each of R1, R2, R3, R4, R5, R9, ring A, ring B, ring C, m, n, p, q, -L1-, -L2-,L3-, and L4- is selected independently and as defined herein. The compounds of the invention have, surprisingly and advantageously, improved solution stability. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimers Disease, are also disclosed.

  在其多种实施方式中，本发明提供了某些咪唑二氧化硫化合物，包括化合物的结构式(a)以及其互变异构体、溶剂合物、前药、酯类和氘代物，以及所述化合物、互变异构体、溶剂合物、前药、酯类和氘代物的药用可接受盐，其中R1、R2、R3、R4、R5、R9、环A、环B、环C、m、n、p、q、-L1-、-L2-、L3-和L4-中的每一个都是独立选择并在此定义。本发明的化合物具有出乎意料且有利的改善溶液稳定性。还披露了包含一个或多个这种化合物的药物组合物（单独和与一个或多个其他活性剂的组合），以及其制备和用于治疗与淀粉样蛋白β（Aβ）蛋白相关的病理的方法，包括阿尔茨海默病。