N,N-diethyl-N'-(2-pyrrolidin-1-yl-quinazolin-4-yl)-ethane-1,2-diamine | 59870-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N,N-diethyl-N'-(2-pyrrolidin-1-yl-quinazolin-4-yl)-ethane-1,2-diamine
• 英文别名: 2-pyrrolidinyl-4-(2-diethylaminoethylamino)quinazoline；N',N'-diethyl-N-(2-pyrrolidin-1-ylquinazolin-4-yl)ethane-1,2-diamine
• CAS: 59870-50-7
• 化学式: C₁₈H₂₇N₅
• 分子量: 313.446
• InChiKey: LKPHJRDTFUZYGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  四氢吡咯 、 N,N-diethyl-N'-(2-chloro-quinazolin-4-yl)-ethylenediamine; hydrochloride 在 sodium hydroxide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 N,N-diethyl-N'-(2-pyrrolidin-1-yl-quinazolin-4-yl)-ethane-1,2-diamine
  参考文献：
  名称：

  2,4-Diaminoquinazolines as antithrombotic agents

  摘要：

  2,4-二氨基喹唑啉被用作抗血栓药物，具有以下一般公式：其中R.sub.1和R.sub.2是从以下组成的单价基团中独立选择的：其中R.sub.4和R.sub.5独立地选自氢、烷基和环烷基组成的组，但R.sub.4和R.sub.5不能同时为环烷基；其中R.sub.6、R.sub.7和R.sub.8独立地选自氢和烷基组成的组，A是一个具有两到约六个碳原子的双价有机基团，使得两个氮原子至少被两个碳原子分隔，并且C.杂环氨基，R.sub.3是从氢、卤素和烷基组成的单价基团中选择的。

  公开号：

  US03956495A1

文献信息

• Nitrogen-containing heterocyclic compounds and medicinal use thereof
  申请人：Habashita Hiromu

  公开号：US20070167459A1

  公开（公告）日：2007-07-19

  The compound represented by formulae (I) and (II), the salt thereof, the N-oxide thereof or the solvate thereof, or the prodrug thereof and the pharmaceutical composition comprising thereof have a CXCR4-regulating effect, and they are effective in treatment and prevention of various inflammatory disease, various allergic disease, acquired immunodeficiency syndrome infection with human immunodeficiency virus, or agents for regeneration therapy. (wherein ring A represents a nitrogen-containing heterocyclic group which may have a substituent(s); ring B represents a homocyclic group which may have a substituent(s) or a heterocyclic group which may have a substituent(s); and Y represents a hydrocarbon group which may have a substituent(s), a heterocyclic group which may have a substituent(s), an amino group which may be protected, a hydroxyl group which may be protected or a mercapto group which may be protected; T represents ring A or an amino group which may be protected.)

  式(I)和(II)所代表的化合物、其盐、N-氧化物或溶剂合物、或其前药，以及包含它们的制药组合物具有CXCR4调节作用，它们对各种炎症性疾病、各种过敏性疾病、艾滋病毒感染、或再生治疗剂具有治疗和预防作用。(其中环A代表可能具有取代基的含氮杂环基团；环B代表可能具有取代基的同环基团或可能具有取代基的杂环基团；Y代表可能具有取代基的碳氢基团、可能具有取代基的杂环基团、可能被保护的氨基、可能被保护的羟基或可能被保护的巯基；T代表环A或可能被保护的氨基。)
• NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF
  申请人：HABASHITA Hiromu

  公开号：US20120156219A1

  公开（公告）日：2012-06-21

  The compound represented by formulae (I) and (II), the salt thereof, the N-oxide thereof or the solvate thereof, or the prodrug thereof and the pharmaceutical composition comprising thereof have a CXCR4-regulating effect, and they are effective in treatment and prevention of various inflammatory disease, various allergic disease, acquired immunodeficiency syndrome infection with human immunodeficiency virus, or agents for regeneration therapy. (wherein ring A represents a nitrogen-containing heterocyclic group which may have a substituent(s); ring B represents a homocyclic group which may have a substituent(s) or a heterocyclic group which may have a substituent(s); and Y represents a hydrocarbon group which may have a substituent(s), a heterocyclic group which may have a substituent(s), an amino group which may be protected, a hydroxyl group which may be protected or a mercapto group which may be protected; T represents ring A or an amino group which may be protected.)

  化合物(I)和(II)的化学式、其盐、N-氧化物或其溶剂化物，或其前药以及包含它们的制药组合物具有CXCR4调节作用，对各种炎症性疾病、各种过敏性疾病、人类免疫缺陷病毒感染的获得性免疫缺陷综合症，或再生治疗剂具有治疗和预防作用。(其中环A代表一个含氮杂环基团，可以有取代基；环B代表一个同环基团，可以有取代基或一个含氮杂环基团，可以有取代基；Y代表一个碳氢基团，可以有取代基，一个含氮杂环基团，可以有取代基，一个氨基可以被保护，一个羟基可以被保护或一个巯基可以被保护；T代表环A或一个氨基可以被保护。)
• US3956495A
  申请人：——

  公开号：US3956495A

  公开（公告）日：1976-05-11
• US4048312A
  申请人：——

  公开号：US4048312A

  公开（公告）日：1977-09-13
• US7759336B2
  申请人：——

  公开号：US7759336B2

  公开（公告）日：2010-07-20