2-(dipropylaminobutyl)-1-propyl-1H-benzimidazole-5-carbonitrile | 675139-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(dipropylaminobutyl)-1-propyl-1H-benzimidazole-5-carbonitrile
• 英文别名: 2-(4-dipropylamino-butyl)-1-propyl-1H-benzimidazol-5-carbonitrile；2-[4-(Dipropylamino)butyl]-1-propylbenzimidazole-5-carbonitrile
• CAS: 675139-05-6
• 化学式: C₂₁H₃₂N₄
• 分子量: 340.512
• InChiKey: CYGXRHCLCHKBOS-UHFFFAOYSA-N

物化性质

• 沸点：
  506.3±30.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(dipropylaminobutyl)-1-propyl-1H-benzimidazole-5-carbonitrile 在 lithium aluminium tetrahydride 、 sodium hydroxide 、 水 、 sodium sulfate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  BASIC AMINE COMPOUND AND USE THEREOF

  摘要：

  公开号：

  EP1724263B1
• 作为产物：
  描述：

  、 丙醛 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 13.0h， 生成 2-(dipropylaminobutyl)-1-propyl-1H-benzimidazole-5-carbonitrile
  参考文献：
  名称：

  BASIC AMINE COMPOUND AND USE THEREOF

  摘要：

  公开号：

  EP1724263B1

文献信息

• Amine compounds and use thereof
  申请人：Yamazaki Toru

  公开号：US20050165063A1

  公开（公告）日：2005-07-28

  It is intended to provide novel amine compounds which are efficacious against diseases such as infection with HIV virus, rheumatism and cancer metastasis. Namely, amine compounds represented by the following general formula (1): In a typical case, A1 and A2 represent each an optionally substituted monocyclic or polycyclic aromatic heterocycle; W represents cyclic C3-10 alkylene, an optionally substituted monocyclic or polycyclic aromatic heterocycle, a monocyclic or polycyclic aromatic ring or a partly saturated polycyclic aromatic ring; X represents O, CH2, C(═O) or NR11; and D is a group represented by the following general formula (4) or (6). In the formula (6), Q represents a single bond, S, O or NR12; and Y is a group represented by the following general formula (7). z represents an optionally substituted monocyclic or polycyclic aromatic ring. In the formula (6), B represents NR25R26. In the above formulae, R1 to R26 each represents hydrogen, alkyl, alkenyl or alkynyl.

  本发明旨在提供新型胺化合物，其对感染HIV病毒、风湿病和癌症转移等疾病具有疗效。即以下通式（1）所代表的胺化合物：在典型情况下，A1和A2分别代表可选择取代的单环或多环芳香杂环；W代表环状C3-10烷基，可选择取代的单环或多环芳香杂环，单环或多环芳香环或部分饱和多环芳香环；X代表O，CH2，C（═O）或NR11；D是以下通式（4）或（6）所代表的基团。在公式（6）中，Q代表单键，S，O或NR12；Y代表以下通式（7）所代表的基团。z代表可选择取代的单环或多环芳香环。在公式（6）中，B代表NR25R26。在上述公式中，R1至R26每个代表氢，烷基，烯基或炔基。
• Amine compound and use thereof
  申请人：Yamazaki Toru

  公开号：US20070208033A1

  公开（公告）日：2007-09-06

  It is intended to provide novel amine compounds which are efficacious against diseases such as infection with HIV virus, rheumatism and cancer metastasis. Namely, amine compounds represented by the following general formula (1): In a typical case, A1 and A2 represent each an optionally substituted monocyclic or polycyclic aromatic heterocycle; W represents cyclic C3-10 alkylene, an optionally substituted monocyclic or polycyclic aromatic heterocycle, a monocyclic or polycyclic aromatic ring or a partly saturated polycyclic aromatic ring; X represents O, CH2, C(═O) or NR11; and D is a group represented by the following general formula (4) or (6). In the formula (6), Q represents a single bond, S, O or NR12; and Y is a group represented by the following general formula (7). z represents an optionally substituted monocyclic or polycyclic aromatic ring. In the formula (6), B represents NR25R26. In the above formulae, R1 to R26 each represents hydrogen, alkyl, alkenyl or alkynyl.

  本发明旨在提供新型胺类化合物，其对诸如感染HIV病毒、风湿病和癌症转移等疾病具有疗效。具体来说，本发明提供以下通式（1）所表示的胺类化合物：其中，在典型情况下，A1和A2分别表示可选取代的单环或多环芳香杂环；W表示环状C3-10烷基，可选取代的单环或多环芳香杂环，单环或多环芳香环或部分饱和多环芳香环；X表示O、CH2、C（═O）或NR11；D是由以下通式（4）或（6）表示的基团。在公式（6）中，Q表示单键，S、O或NR12；Y是由以下通式（7）表示的基团。z表示可选取代的单环或多环芳香环。在公式（6）中，B表示NR25R26。在上述公式中，R1至R26分别表示氢、烷基、烯基或炔基。
• Amine-Based Compound and Use Thereof
  申请人：Saitou Atsushi

  公开号：US20070208007A1

  公开（公告）日：2007-09-06

  Novel amine compounds which are represented by the following formula (1) and efficacious against diseases such as a viral infectious disease with HIV, rheumatism, and cancer metastasis; typically, A 1 and A 2 represent a hydrogen atom or a substitutable monocyclic or polycyclic heteroaromatic ring and W represents a substitutable benzene ring or any group represented by the following formula (10) or (11): where X represents O, CH 2 , C(═O), NR 11 , or CHR 35 and D represents a group represented by the following formula (6): where Q represents a single bond, NR 12 , or a group represented by the formula (13): and Y represents a group represented by the following formula (7): where z represents a substitutable monocyclic or polycyclic aromatic ring; and B represents —NR 25 R 26 ; and R 1 to R 26 in the above formulae represent a hydrogen atom, an alkyl group, an alkenyl group, or an alkynyl group.

  以下是该段文本的中文翻译： 新型胺类化合物的化学式如下（1），可用于治疗病毒性感染疾病（如艾滋病毒感染）、风湿病和癌症转移等疾病。其中，A1和A2代表氢原子或可替换的单环或多环杂芳香环，W代表可替换的苯环或以下化学式（10）或（11）所代表的任何基团： 其中，X代表O、CH2、C(═O)、NR11或CHR35，D代表以下化学式（6）所代表的基团： 其中，Q代表单键、NR12或以下化学式（13）所代表的基团，Y代表以下化学式（7）所代表的基团： 其中，z代表可替换的单环或多环芳香环，B代表—NR25R26，R1到R26代表氢原子、烷基、烯基或炔基。
• AMINE COMPOUND AND USE THEREOF
  申请人：YAMAZAKI Toru

  公开号：US20110046113A1

  公开（公告）日：2011-02-24

  It is intended to provide novel amine compounds which are efficacious against diseases such as infection with HIV virus, rheumatism and cancer metastasis. Namely, amine compounds represented by the following general formula (1): In a typical case, A1 and A2 represent each an optionally substituted monocyclic or polycyclic aromatic heterocycle; W represents cyclic C3-10 alkylene, an optionally substituted monocyclic or polycyclic aromatic heterocycle, a monocyclic or polycyclic aromatic ring or a partly saturated polycyclic aromatic ring; X represents O, CH2, C(═O) or NR11; and D is a group represented by the following general formula (4) or (6). In the formula (6), Q represents a single bond, S, O or NR12; and Y is a group represented by the following general formula (7). —(CR 18 R 19 )m 3 — Or —(CR 20 R 21 )m 4 -z-(CR 22 R 23 )m 5 (7) z represents an optionally substituted monocyclic or polycyclic aromatic ring. In the formula (6), B represents NR25R26. In the above formulae, R1 to R26 each represents hydrogen, alkyl, alkenyl or alkynyl.

  旨在提供新型胺类化合物，对诸如感染HIV病毒、风湿病和癌症转移等疾病具有疗效。具体而言，是由以下通式（1）所代表的胺类化合物：在典型情况下，A1和A2各代表一个可选取的取代的单环或多环芳香杂环；W代表环状C3-10烷基，一个可选取的取代的单环或多环芳香杂环，一个单环或多环芳香环或部分饱和多环芳香环；X代表O，CH2，C（═O）或NR11；D是以下通式（4）或（6）所代表的基团。在通式（6）中，Q代表单键、S、O或NR12；Y是以下通式（7）所代表的基团。—（CR18R19）m3—或—（CR20R21）m4-z-（CR22R23）m5（7）z代表一个可选取的取代的单环或多环芳香环。在通式（6）中，B代表NR25R26。在上述式中，R1至R26各自代表氢、烷基、烯基或炔基。
• AMINE-BASED COMPOUND AND USE THEREOF
  申请人：SAITOU Atsushi

  公开号：US20110172212A1

  公开（公告）日：2011-07-14

  Novel amine compounds which are represented by the following formula (1) and efficacious against diseases such as a viral infectious disease with HIV, rheumatism, and cancer metastasis; typically, A 1 and A 2 represent a hydrogen atom or a substitutable monocyclic or polycyclic heteroaromatic ring and W represents a substitutable benzene ring or any group represented by the following formula (10) or (11): where X represents O, CH 2 , C(═O), NR 11 , or CHR 35 and D represents a group represented by the following formula (6): [Formula 4] -Q-Y—B  (6) where Q represents a single bond, NR 12 , or a group represented by the formula (13): and Y represents a group represented by the following formula (7): [Formula 6] —(CR 18 R 19 ) m 3 - or —(CR 20 R 21 ) m 4 - z -(CR 22 R 23 ) m 5 -  (7) where z represents a substitutable monocyclic or polycyclic aromatic ring; and B represents —NR 25 R 26 ; and R 1 to R 26 in the above formulae represent a hydrogen atom, an alkyl group, an alkenyl group, or an alkynyl group.

  以下是一种新型胺化合物，可用于治疗病毒性感染疾病（如HIV）、风湿病和癌症转移等疾病。通常，A1和A2代表氢原子或可替代的单环或多环杂环芳香环，W代表可替代的苯环或以下公式（10）或（11）所代表的任何基团： 其中，X代表O、CH2、C（═O）、NR11或CHR35，D代表以下公式（6）所代表的基团： [公式4]-Q-Y—B  （6） 其中，Q代表单键、NR12或以下公式（13）所代表的基团： Y代表以下公式（7）所代表的基团： [公式6]—（CR18R19）m3-或—（CR20R21）m4-z-（CR22R23）m5-  （7） 其中，z代表可替代的单环或多环芳香环；B代表—NR25R26；上述公式中的R1至R26代表氢原子、烷基、烯基或炔基。