N-(2-pyrrolidin-1-yl-ethyl)-4-(4,4,5,5-tetramethyl-[1,2,3]dioxaborolan-2-yl)-benzamide | 1003575-20-9

• 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: N-(2-pyrrolidin-1-yl-ethyl)-4-(4,4,5,5-tetramethyl-[1,2,3]dioxaborolan-2-yl)-benzamide
• 英文别名: N-(2-Pyrrolidin-1-yl-ethyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide；N-(2-pyrrolidin-1-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• CAS: 1003575-20-9
• 化学式: C₁₉H₂₉BN₂O₃
• 分子量: 344.262
• InChiKey: VROGZVSOVPGZBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.81
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2-氨乙基)吡咯烷 、 4-羧基苯硼酸频那醇酯 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以66.8%的产率得到N-(2-pyrrolidin-1-yl-ethyl)-4-(4,4,5,5-tetramethyl-[1,2,3]dioxaborolan-2-yl)-benzamide
  参考文献：
  名称：

  WO2008/9077

  摘要：

  公开号：

文献信息

• 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS
  申请人：Gao Ling-Jie

  公开号：US20100143299A1

  公开（公告）日：2010-06-10

  This invention provides the treatment of viral infections with a 4,6-disubstituted or 2,4,6-trisubstituted quinazoline derivative represented by the structural formula [(I)] wherein: R 2 is selected from the group consisting of hydrogen, NR′R″ and C 1-7 alkyl; —A is selected from the group consisting of a bond, O, S(O) n , C 1-7 alkylene, C 2-7 alkenylene and C 2-7 alkynylene; R 4 is selected from the group consisting of C 1-7 alkyl, C 2-7 alkenyl, C 3-10 cycloalkyl, C 3-10 cycloalkenyl, aryl, heterocyclic, arylalkyl, heterocyclic-substituted alkyl and cycloalkyl-alkyl; —Y is selected from the group consisting of a single bond, C 1-7 alkylene, C 2-7 alkenylene, and C 2-7 alkynylene; n is 0, 1 or 2; and R 6 is selected from the group consisting of halogen, heteroaryl and aryl; a pharmaceutically acceptable addition salt, a stereoisomer, a mono- or a di-Λ/-oxide, a solvate or a pro-drug thereof.

  本发明提供了一种使用4,6-二取代或2,4,6-三取代喹唑啉衍生物的治疗病毒感染的方法，其结构式表示为[(I)]，其中：R2选自氢、NR′R″和C1-7烷基的组；—A选自键、O、S(O)n、C1-7烷基、C2-7烯基和C2-7炔基的组；R4选自C1-7烷基、C2-7烯基、C3-10环烷基、C3-10环烯基、芳基、杂环、芳基烷基、杂环取代烷基和环烷基-烷基的组；—Y选自单键、C1-7烷基、C2-7烯基和C2-7炔基的组；n为0、1或2；R6选自卤素、杂芳基和芳基的组；以及其药学上可接受的加合物盐、立体异构体、单-或双-Λ/-氧化物、溶剂化合物或前药。
• 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections
  申请人：Gao Ling-Jie

  公开号：US08673929B2

  公开（公告）日：2014-03-18

  This invention provides the treatment of viral infections with a 4,6-disubstituted or 2,4,6-trisubstituted quinazoline derivative represented by the structural formula [(I)] wherein: R2 is selected from the group consisting of hydrogen, NR′R″ and C1-7 alkyl; —A is selected from the group consisting of a bond, O, S(O)n, C1-7 alkylene, C2-7 alkenylene and C2-7 alkynylene; R4 is selected from the group consisting of C1-7 alkyl, C2-7 alkenyl, C3-10cycloalkyl, C3-10 cycloalkenyl, aryl, heterocyclic, arylalkyl, heterocyclic-substituted alkyl and cycloalkyl-alkyl; —Y is selected from the group consisting of a single bond, C1-7 alkylene, C2-7 alkenylene, and C2-7 alkynylene; n is 0, 1 or 2; and R6 is selected from the group consisting of halogen, heteroaryl and aryl; a pharmaceutically acceptable addition salt, a stereoisomer, a mono- or a di-Λ/-oxide, a solvate or a pro-drug thereof.

  本发明提供了一种使用4,6-二取代或2,4,6-三取代的喹唑啉衍生物[(I)]的治疗病毒感染的方法，其中：R2选自氢、NR′R″和C1-7烷基组成的群；-A选自键合、O、S（O）n、C1-7烷基、C2-7烯基和C2-7炔基组成的群；R4选自C1-7烷基、C2-7烯基、C3-10环烷基、C3-10环烯基、芳基、杂环、芳基烷基、杂环取代烷基和环烷基烷基组成的群；-Y选自单键、C1-7烷基、C2-7烯基和C2-7炔基组成的群；n为0、1或2；R6选自卤素、杂芳基和芳基组成的群；以及其药学上可接受的加成盐、立体异构体、单Λ/-氧化物、双Λ/-氧化物、溶剂化合物或前药。
• WO2008/9077
  申请人：——

  公开号：——

  公开（公告）日：——