N’-羟基-5-甲基异噁唑-3-羧酰胺 | 90585-88-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N’-羟基-5-甲基异噁唑-3-羧酰胺
• 中文别名: N'-羟基-5-甲基异恶唑-3-羧酰亚胺
• 英文名称: N'-hydroxy-5-methylisoxazole-3-carboximidamide
• 英文别名: (Z)-N’-hydroxy-5-methylisoxazole-3-carboximidamide；1-(5-Methyl-1,2-oxazol-3(2H)-ylidene)-1-nitrosomethanamine；N'-hydroxy-5-methyl-1,2-oxazole-3-carboximidamide
• CAS: 90585-88-9
• 化学式: C₅H₇N₃O₂
• mdl: MFCD00210165
• 分子量: 141.129
• InChiKey: OTWRKYFOQTWFFH-UHFFFAOYSA-N

物化性质

• 沸点：
  304.9±44.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  84.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi

反应信息

• 作为反应物：
  描述：

  1-(Morpholin-4-ylcarbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxylic acid 、 N’-羟基-5-甲基异噁唑-3-羧酰胺 生成 {3-[3-(5-Methylisoxazol-3-yl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl}(morpholin-4-yl)methanone
  参考文献：
  名称：

  HETEROARYL-SUBSTITUTED PIPERIDINES

  摘要：

  本发明涉及新型杂环芳基取代哌啶，其制备过程，其用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物，特别是心血管疾病和肿瘤疾病。

  公开号：

  US20090306139A1
• 作为产物：
  描述：

  磷酸酯淀粉 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 为溶剂， 生成 N’-羟基-5-甲基异噁唑-3-羧酰胺
  参考文献：
  名称：

  Sychewa,T.P. et al., Journal of general chemistry of the USSR, 1962, vol. 32, p. 3600 - 3603

  摘要：

  DOI：

文献信息

• Pyrrolidine oxadiazole-and thiadiazole derivatives
  申请人：——

  公开号：US20040220238A1

  公开（公告）日：2004-11-04

  The present invention is related to pyrrolidine oxadiazole and thiadiazole derivatives for use as pharmaceutically active compounds, as well as pharmaceutical formulations containing such pyrrolidine oxadiazole derivatives. Said pyrrolidine derivatives are useful in the treatment and/or prevention of preterm labor, premature birth and dysmenorrhea. In particular, the present invention is related to pyrrolidine derivatives displaying a substantial modulatory, notably an antagonist activity of the oxytocin receptor. More preferably, said compounds are useful in the treatment and/or prevention of disease states mediated by oxytocin, including preterm labor, premature birth and dysmenorrhea. The present invention is furthermore related to novel pyrrolidine derivatives as well as to methods of their preparation. (I) B is a oxadiazole or thiadiazole group. 1

  本发明涉及吡咯烷氧二唑和噻二唑衍生物，用作药物活性化合物，以及含有此类吡咯烷氧二唑衍生物的制药配方。所述吡咯烷衍生物在治疗和/或预防早产、早产和痛经方面具有用途。特别地，本发明涉及显示出显著调节活性，特别是催产素受体拮抗剂活性的吡咯烷衍生物。更具体地，这些化合物在治疗和/或预防由催产素介导的疾病状态方面具有用途，包括早产、早产和痛经。本发明还涉及新型吡咯烷衍生物及其制备方法。(I) B是氧代二唑或噻二唑基团。
• Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists
  申请人：Schwarz Matthias

  公开号：US20060229343A1

  公开（公告）日：2006-10-12

  The present invention is related to pyrrolidine oxadiazole and thiadiazole derivatives for use as pharmaceutically active compounds, as well as pharmaceutical formulations containing such pyrrolidine oxadiazole derivatives. Said pyrrolidine derivatives are useful in the treatment and/or prevention of preterm labor, premature birth and dysmenorrhea. In particular, the present invention is related to pyrrolidine derivatives displaying a substantial modulatory, notably an antagonist activity of the oxytocin receptor. More preferably, said compounds are useful in the treatment and/or prevention of disease states mediated by oxytocin, including preterm labor, premature birth and dysmenorrhea. The present invention is furthermore related to novel pyrrolidine derivatives as well as to methods of their preparation. B is a oxadiazole or thiadiazole group.

  本发明涉及吡咯烷氧噻二唑和噻二唑衍生物，用作药物活性化合物，以及包含此类吡咯烷氧噻二唑衍生物的制药配方。所述吡咯烷衍生物在治疗和/或预防早产、早产和痛经方面具有用途。特别是，本发明涉及显示出 oxytocin 受体的重要调节作用，特别是拮抗剂活性的吡咯烷衍生物。更具体地说，所述化合物在治疗和/或预防由 oxytocin 介导的疾病状态方面具有用途，包括早产、早产和痛经。本发明还涉及新的吡咯烷衍生物以及它们的制备方法。B 是一个氧噻二唑或噻二唑基团。
• Pyrrolidine oxadiazole- and thiadiazole oxime derivatives being oxytocin receptor antagonists
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：US07115639B2

  公开（公告）日：2006-10-03

  The present invention is related to pyrrolidine oxadiazole and thiadiazole derivatives for use as pharmaceutically active compounds, as well as pharmaceutical formulations containing such pyrrolidine oxadiazole derivatives. Said pyrrolidine derivatives are useful in the treatment and/or prevention of preterm labor, premature birth and dysmenorrhea. In particular, the present invention is related to pyrrolidine derivatives displaying a substantial modulatory, notably an antagonist activity of the oxytocin receptor. More preferably, said compounds are useful in the treatment and/or prevention of disease states mediated by oxytocin, including preterm labor, premature birth and dysmenorrhea. The present invention is furthermore related to novel pyrrolidine derivatives as well as to methods of their preparation. (I) B is a oxadiazole or thiadiazole group

  本发明涉及吡咯烷噁唑和噻唑衍生物，用作药物活性化合物，以及含有此类吡咯烷噁唑衍生物的制药配方。所述吡咯烷衍生物在治疗和/或预防早产、早产和痛经方面有用。特别地，本发明涉及显示 oxytocin 受体的显著调节作用，特别是拮抗剂活性的吡咯烷衍生物。更优选地，这些化合物在治疗和/或预防由 oxytocin 介导的疾病状态，包括早产、早产和痛经方面有用。本发明还涉及新型吡咯烷衍生物以及它们的制备方法。(I) B 是噁唑或噻唑基团。
• Heteroaryl-substituted piperidines
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US08119663B2

  公开（公告）日：2012-02-21

  The invention relates to novel heteroaryl-substituted piperidines, to processes for their preparation, to their use for the treatment and/or prophylaxis of diseases and to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular of cardiovascular diseases and tumor diseases.

  本发明涉及新型杂环芳基取代哌啶，其制备过程，以及它们用于治疗和/或预防疾病的用途，以及用于制备治疗和/或预防疾病的药物，特别是心血管疾病和肿瘤疾病。