PF-429242 | 947303-63-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: PF-429242
• 英文别名: N-(2-methoxyphenethyl)-4-((diethylamino)methyl)-N-(pyrrolidin-3-yl)benzamide；4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-pyrrolidin-3-ylbenzamide
• CAS: 947303-63-1
• 化学式: C₂₅H₃₅N₃O₂
• 分子量: 409.572
• InChiKey: XKPJTOHUPQWSOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  562.2±50.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  PF-429242 生成 (R)-4-((二乙基氨基)甲基)-n-(2-甲氧基苯乙基)-n-(吡咯烷-3-基)苯甲酰胺 、 (S)-N-(2-methoxyphenethyl)-4-((diethylamino)methyl)-N-(pyrrolidin-3-yl)benzamide
  参考文献：
  名称：

  Aminopyrrolidineamide inhibitors of site-1 protease

  摘要：

  The discovery and efficacy of a series of potent aminopyrrolidineamide-based inhibitors of sterol regulatory element binding protein site-1 protease is described. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.031
• 作为产物：
  描述：

  2-甲氧基苯乙胺 在 盐酸 、 sodium tetrahydroborate 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 生成 PF-429242
  参考文献：
  名称：

  Aminopyrrolidineamide inhibitors of site-1 protease

  摘要：

  The discovery and efficacy of a series of potent aminopyrrolidineamide-based inhibitors of sterol regulatory element binding protein site-1 protease is described. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.031

文献信息

• METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH REDUCED CFTR FUNCTION
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

  公开号：US20200121642A1

  公开（公告）日：2020-04-23

  Activating transcription factor 6 (ATF6) is involved in cystic fibrosis transmembrane conductance regulator (CFTR) repression and understanding this inhibitory mechanism is of great interest to develop a therapeutic approach based on UPR regulation. Using site-1 protease (S1P) inhibitor (e.g. PF-429242) the inventors showed that both membrane localization and function of F508del-CFTR are partially restored. Accordingly, the present invention relates to a method of treating a disease associated with reduced CFTR function in a subject in need thereof comprising administering to the subject a therapeutically effective amount of a S1P inhibitor.
• Aminopyrrolidineamide inhibitors of site-1 protease
  作者：Bruce A. Hay、Barbara Abrams、Allice Y. Zumbrunn、James J. Valentine、Laurie C. Warren、Stephen F. Petras、Lorraine D. Shelly、Angela Xia、Alison H. Varghese、Julie L. Hawkins、Jennifer A. Van Camp、Michael D. Robbins、Katherine Landschulz、H. James Harwood

  DOI：10.1016/j.bmcl.2007.06.031

  日期：2007.8

  The discovery and efficacy of a series of potent aminopyrrolidineamide-based inhibitors of sterol regulatory element binding protein site-1 protease is described. (c) 2007 Elsevier Ltd. All rights reserved.