4-苯基-1,2-恶唑-3-胺 | 182424-34-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-苯基-1,2-恶唑-3-胺
• 中文别名: 苯,1-[(1S)-1-异氰酸基乙基]-4-甲氧基-
• 英文名称: 3-amino-4-phenyl isoxazole
• 英文别名: 4-Phenyl-1,2-oxazol-3-amine
• CAS: 182424-34-6
• 化学式: C₉H₈N₂O
• mdl: MFCD07382290
• 分子量: 160.175
• InChiKey: JVFGZGKZJRXLPV-UHFFFAOYSA-N

物化性质

• 沸点：
  335.0±30.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二乙胺 、 4-苯基-1,2-恶唑-3-胺 在 盐酸 、 sodium nitrite 作用下， 生成 3,3-diethyl-1-(4-phenylisoxazol-3-yl)triazene
  参考文献：
  名称：

  Synthesis of 1-(isoxazol-3-yl)triazene derivatives. Antimetastatic activity of 3,3-dimethyl-1-(5-methylisoxazol-3-yl)triazene

  摘要：

  The synthesis of some 3,3-dialkyl-1-(isoxazol-3-yl)triazenes is reported, together with preliminary biological tests on 3,3-dimethyl-1-(5-methylisoxazol-3-yl)triazene 3a. This compound exerts a selective antimetastatic action in mice bearing Lewis lung carcinoma, reducing the weight but not the number of metastases. Some unfavorable properties in the toxicological profile of 3a have discouraged further investigation of this class of compounds.

  DOI：

  10.1016/0223-5234(96)85884-3
• 作为产物：
  描述：

  3-nitro-4-phenylisoxazole 在 aluminium amalgam 、 水 作用下， 以 乙醚 为溶剂， 反应 7.0h， 生成 4-苯基-1,2-恶唑-3-胺
  参考文献：
  名称：

  Synthesis of 1-(isoxazol-3-yl)triazene derivatives. Antimetastatic activity of 3,3-dimethyl-1-(5-methylisoxazol-3-yl)triazene

  摘要：

  The synthesis of some 3,3-dialkyl-1-(isoxazol-3-yl)triazenes is reported, together with preliminary biological tests on 3,3-dimethyl-1-(5-methylisoxazol-3-yl)triazene 3a. This compound exerts a selective antimetastatic action in mice bearing Lewis lung carcinoma, reducing the weight but not the number of metastases. Some unfavorable properties in the toxicological profile of 3a have discouraged further investigation of this class of compounds.

  DOI：

  10.1016/0223-5234(96)85884-3

文献信息

• DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS
  申请人：Wang Tao

  公开号：US20070249579A1

  公开（公告）日：2007-10-25

  This disclosure provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the disclosure is concerned with diketo piperazine and piperadine derivatives that possess unique antiviral activity. More particularly, the present disclosure relates to compounds useful for the treatment of HIV and AIDS.

  本公开提供具有药物和生物影响特性的化合物，它们的药物组合物和使用方法。具体而言，该公开涉及具有独特抗病毒活性的二酮哌嗪和哌啶衍生物。更具体地说，本公开涉及用于治疗艾滋病毒和艾滋病的化合物。
• Organic Compounds
  申请人：Press Neil John

  公开号：US20090048281A1

  公开（公告）日：2009-02-19

  Compounds of Formula (I); in salt or zwitterionic form wherein R 1 , R 2 , R 3 and R 4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式（I）的化合物；以盐或双电离形式存在，其中R1，R2，R3和R4具有规范中指示的含义，可用于治疗由肌肉型M3受体介导的疾病，尤其是炎症性或阻塞性呼吸道疾病。还描述了含有该化合物的制药组合物和制备该化合物的过程。
• Quinuclidine derivatives and their use as muscarinic M3 receptor antagonists
  申请人：Novartis AG

  公开号：US08084463B2

  公开（公告）日：2011-12-27

  Compounds of Formula (I); in salt or zwitterionic form wherein R1, R2, R3 and R4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  公式（I）的化合物；以盐或双离子形式存在，其中R1、R2、R3和R4的含义如规范中所示，可用于治疗由肌肉型M3受体介导的疾病，尤其是炎症性或阻塞性呼吸道疾病。还描述了包含这些化合物的制药组合物和制备这些化合物的过程。
• QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS
  申请人：Press Neil John

  公开号：US20100168132A1

  公开（公告）日：2010-07-01

  Compounds of Formula (I) ; in salt or zwitterionic form wherein R 1 , R 2 , R 3 and R 4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式(I)的化合物；以盐或双电离形式存在，其中R1，R2，R3和R4的含义如规范中所示，对于治疗由肌肉型M3受体介导的情况，特别是炎症性或阻塞性气道疾病是有用的。还描述了包含这些化合物的制药组合物和制备这些化合物的过程。
• Quinuclidine derivatives and their use as muscarinic m3 receptor antagonists
  申请人：Novartis AG

  公开号：US07723356B2

  公开（公告）日：2010-05-25

  Compounds of Formula (I); in salt or zwitterionic form wherein R1, R2, R3 and R4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式(I)的化合物；以盐或双电离形式存在，其中R1、R2、R3和R4的含义如规范所示，可用于治疗由肌肉型M3受体介导的疾病，特别是炎症性或阻塞性呼吸道疾病。还描述了含有该化合物的制药组合物和制备该化合物的方法。