3-phenyl-8-N-tert-butoxycarbonyl-1-oxa-2,8-diaza-spiro[4.5]dec-2-ene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 3-phenyl-8-N-tert-butoxycarbonyl-1-oxa-2,8-diaza-spiro[4.5]dec-2-ene
• 英文别名: 1-N-boc-4-methylenepiperidine；3-phenyl-8-N-Boc-1-oxa-2,8-diaza-spiro[4.5]dec-2-en；3-phenyl-1-oxa-2,8-diaza-spiro[4.5]dec-2-en-8-carboxylic acid tert-butyl ester；3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid tert-butyl ester；tert-butyl 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylate
• 化学式: C₁₈H₂₄N₂O₃
• 分子量: 316.4
• InChiKey: WISMGLVUGGOMFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-phenyl-8-N-tert-butoxycarbonyl-1-oxa-2,8-diaza-spiro[4.5]dec-2-ene 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 3-phenyl-1-oxa-2,8-diaza-spiro[4.5]dec-2-ene hydrochloride
  参考文献：
  名称：

  Spiroisoxazoline Compounds Having an Activity Potentiating the Activity of an Antibiotic

  摘要：

  本发明涉及一种通式（I）的螺环异氧唑啉化合物：其中m和n为0或1，R1代表，包括但不限于，一个可选择取代的烷基链，特别是取代有氟或环状基团的烷基链，R2选自苯基和可选择取代的苄基、环丙基、环丁基、环戊基、环己基，以及含有至少一种来自S、N和O的原子的5个或6个顶点的杂环。本发明还涉及将该化合物用作药物的用途，特别是在与对细菌和/或分枝杆菌活性的抗生素结合治疗细菌和分枝杆菌感染，该化合物增强了该抗生素的活性。

  公开号：

  US20150344498A1
• 作为产物：
  描述：

  苯甲醛肟 在 N-氯代丁二酰亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 81.0h， 生成 3-phenyl-8-N-tert-butoxycarbonyl-1-oxa-2,8-diaza-spiro[4.5]dec-2-ene
  参考文献：
  名称：

  Synthesis of functionalized 2-isoxazolines as three-dimensional fragments for fragment-based drug discovery

  摘要：

  The design of new sp(3) and spiro-enriched fragments has been achieved from 1,3-dipolar cycloaddition between alkenes and chloro-oximes. The selection of reagents was performed to afford a panel of 2-isoxazoline-containing fragments that show desirable three dimensional (3D) characteristics to allow the probing of biologically-relevant chemical space. Principal moments of inertia (PMI) were calculated to evaluate the 3D diversity. The resulting 3D fragments with suitable physicochemical properties, especially a good solubility, will be used to improve the hit rate of our fragment-based screening. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.05.035

文献信息

• 一类螺异噁唑啉衍生物、其制备方法及医药用 途
  申请人：中国科学院上海药物研究所

  公开号：CN104945416B

  公开（公告）日：2017-11-17

  本发明属于医药技术领域，主要涉及一类如下通式I所示的螺异噁唑啉衍生物、其制备方法及医药用途。所述螺异噁唑啉衍生物具有抑制蛋白酪氨酸磷酸酶1B（PTP1B）的生物活性，可以作为工具化合物研究蛋白酪氨酸磷酸酶1B（PTP1B）在细胞信号转导过程中的生物学功能关联性，为预防和治疗癌症、代谢与免疫疾病提供新的手段。
• Substituted Spiro Compounds and Their Use for Producing Pain-Relief Medicaments
  申请人：Frank Robert

  公开号：US20080269271A1

  公开（公告）日：2008-10-30

  The present invention relates to substituted spiro compounds, to processes for preparing them, to medicaments comprising these compounds and to the use of these compounds for producing medicaments.

  本发明涉及替代螺环化合物，涉及制备这些化合物的方法，涉及含有这些化合物的药物以及利用这些化合物生产药物的用途。
• Spiroisoxazoline Compounds Having an Activity Potentiating the Activity of an Antibiotic
  申请人：UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 5

  公开号：US20150344498A1

  公开（公告）日：2015-12-03

  The present invention concerns a spiroisoxazoline compound of general formula (I): in which m and n are 0 or 1, R1 represents, inter alia, an optionally substituted alkyl chain, in particular substituted with fluorine or with a cyclic group, and R2 is chosen from phenyl and optionally substituted benzyl, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, and the heterocycles having 5 or 6 vertices comprising at least one atom chosen from S, N and O. The present invention also concerns the use of this compound as a drug, in particular in the treatment of bacterial and mycobacterial infections such as tuberculosis in combination with an antibiotic that is active against bacteria and/or mycobacteria, said compound potentiating the activity of said antibiotic.

  本发明涉及一种通式（I）的螺环异氧唑啉化合物：其中m和n为0或1，R1代表，包括但不限于，一个可选择取代的烷基链，特别是取代有氟或环状基团的烷基链，R2选自苯基和可选择取代的苄基、环丙基、环丁基、环戊基、环己基，以及含有至少一种来自S、N和O的原子的5个或6个顶点的杂环。本发明还涉及将该化合物用作药物的用途，特别是在与对细菌和/或分枝杆菌活性的抗生素结合治疗细菌和分枝杆菌感染，该化合物增强了该抗生素的活性。
• Substituted spiro compounds and their use for producing pain-relief medicaments
  申请人：Frank Robert

  公开号：US08772307B2

  公开（公告）日：2014-07-08

  The present invention relates to substituted spiro compounds, to processes for preparing them, to medicaments comprising these compounds and to the use of these compounds for producing medicaments.

  本发明涉及取代螺环化合物，制备这些化合物的方法，包含这些化合物的药物以及利用这些化合物制备药物的用途。
• Spiroisoxazoline compounds having an activity potentiating the activity of an antibiotic
  申请人：Universite de Droit et de la Sante de Lille 2

  公开号：US10174050B2

  公开（公告）日：2019-01-08

  The present invention concerns a spiroisoxazoline compound of general formula (I): in which m and n are 0 or 1, R1 represents, inter alia, an optionally substituted alkyl chain, in particular substituted with fluorine or with a cyclic group, and R2 is chosen from phenyl and optionally substituted benzyl, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, and the heterocycles having 5 or 6 vertices comprising at least one atom chosen from S, N and O. The present invention also concerns the use of this compound as a drug, in particular in the treatment of bacterial and mycobacterial infections such as tuberculosis in combination with an antibiotic that is active against bacteria and/or mycobacteria, said compound potentiating the activity of said antibiotic.

  本发明涉及通式（I）的螺异噁唑啉化合物： 其中 m 和 n 为 0 或 1，R1 除其他外代表任选取代的烷基链，特别是被氟取代或被环状基团取代的烷基链，R2 选自苯基和任选取代的苄基、环丙基、环丁基、环戊基、环己基，以及具有 5 或 6 个顶点的杂环，这些杂环包含至少一个选自 S、N 和 O 的原子。本发明还涉及该化合物作为药物的用途，特别是与对细菌和/或分枝杆菌有活性的抗生素联合使用治疗细菌和分枝杆菌感染，所述化合物可增强所述抗生素的活性。