5-amino-3-(1-ethylpropyl)isoxazole | 344746-40-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-amino-3-(1-ethylpropyl)isoxazole
• 英文别名: 3-(Pentan-3-yl)isoxazol-5-amine；3-pentan-3-yl-1,2-oxazol-5-amine
• CAS: 344746-40-3
• 化学式: C₈H₁₄N₂O
• mdl: MFCD10690494
• 分子量: 154.212
• InChiKey: WATBXBFPSOTARH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-ethylhexa-2,3-dienenitrile 在 盐酸羟胺 、 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以92%的产率得到5-amino-3-(1-ethylpropyl)isoxazole
  参考文献：
  名称：

  Fomum, Z. Tanee; Asobo, P. Forsche; Landor, Stephen R., Journal of the Chemical Society. Perkin transactions I, 1984, # 5, p. 1079 - 1083

  摘要：

  DOI：

文献信息

• Inhibitors of NEK7 kinase
  申请人：Halia Therapeutics, Inc.

  公开号：US11161852B1

  公开（公告）日：2021-11-02

  Compounds having activity as inhibitors of NEK7 are provided. The compounds have Structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein, A, X, Y, R1, R2, R3, R4 and R5 are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of the NLRP3 inflammasome are also provided.

  提供具有作为NEK7抑制剂活性的化合物。这些化合物具有结构（I）：或其药用可接受的盐、立体异构体或前药，其中，A、X、Y、R1、R2、R3、R4和R5如本文所定义。还提供了与制备和使用这些化合物相关的方法，包括含有这些化合物的药物组合物以及调节NLRP3炎症小体活性的方法。
• FOMUM, Z. TANEE;ASOBO, P. FORSCHE;LANDOR, S. R.;LANDOR, PH. D., J. CHEM. SOC. PERKIN TRANS., 1984, N 5, 1079-1083
  作者：FOMUM, Z. TANEE、ASOBO, P. FORSCHE、LANDOR, S. R.、LANDOR, PH. D.

  DOI：——

  日期：——
• INHIBITORS OF NEK7 KINASE
  申请人：Halia Therapeutics, Inc.

  公开号：US20210355130A1

  公开（公告）日：2021-11-18

  Compounds having activity as inhibitors of NEK7 are provided. The compounds have Structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein, A, X, Y, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of the NLRP3 inflammasome are also provided.
• [EN] INHIBITORS OF NEK7 KINASE<br/>[FR] INHIBITEURS DE LA NEK7 KINASE
  申请人：HALIA THERAPEUTICS INC

  公开号：WO2021242505A1

  公开（公告）日：2021-12-02

  Compounds having activity as inhibitors of NEK7 are provided. The compounds have Structure (I): (I) or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein, A, X, Y, R1, R2, R3, R4 and R5 are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of the NLRP3 inflammasome are also provided.
• [EN] INHIBITORS OF NEK7 KINASE<br/>[FR] INHIBITEURS DE LA KINASE NEK7
  申请人：HALIA THERAPEUTICS INC

  公开号：WO2021252488A1

  公开（公告）日：2021-12-16

  Compounds having activity as inhibitors of NEK7 are provided. The compounds have structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein A, X, Y, R1, R2, R3 and R4 are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of the NLRP3 inflammasome are also provided.