2-[2-[3,6-Bis[2,3-bis[2-(diaminomethylideneamino)ethoxy]phenyl]-2-[2-(diaminomethylideneamino)ethoxy]phenoxy]ethyl]guanidine | 1242068-17-2

• 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: 2-[2-[3,6-Bis[2,3-bis[2-(diaminomethylideneamino)ethoxy]phenyl]-2-[2-(diaminomethylideneamino)ethoxy]phenoxy]ethyl]guanidine
• CAS: 1242068-17-2
• 化学式: C₃₆H₅₆N₁₈O₆
• 分子量: 836.958
• InChiKey: JRAGOTSJZAFJNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.3
• 重原子数：
  60
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  442
• 氢给体数：
  12
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  在 甲酸 作用下， 生成 2-[2-[3,6-Bis[2,3-bis[2-(diaminomethylideneamino)ethoxy]phenyl]-2-[2-(diaminomethylideneamino)ethoxy]phenoxy]ethyl]guanidine
  参考文献：
  名称：

  [EN] GUANIDINO-SUBSTITUTED BI- AND POLYPHENYLS AS SMALL MOLECULE CARRIERS
  [FR] NOUVEAUX COMPOSÉS

  摘要：

  公开号：

  WO2010097604A3

文献信息

• GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS
  申请人：Selwood David

  公开号：US20120077863A1

  公开（公告）日：2012-03-29

  A compound of formula I, or a pharmaceutically acceptable salt thereof, wherein —X 1 , X 2 and X 3 are each independently where Y is an alkylene, alkenylene or alkynylene group, each of which may be optionally substituted with one or more substituents selected from alkyl, halo, CF 3 , OH, alkoxy, NH 2 , CN, NO 2 and COOH; W is absent or is O, S or NH; R 1 , R 2 , R 3 and R 4 are each independently selected from H, alkyl, aryl and a protecting group Pi; R 7 , R 8 and R 9 are each independently selected from H, alkyl, halo, CF 3 , OH, alkoxy, CN, NO 2 and COOH; —q is 1, 2, 3 or 4; q′ is 0, 1, 2 or 3, where q+q′ equals 4; p and r are each independently 1, 2, 3, 4 or 5; p′ and r′ are each independently 0, 1, 2, 3 or 4, where p+p′ and r+r′ each equal 5; and —n is 0, 1, 2, 3, 4, 5 or 6.
• [EN] NEW COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：UCL BUSINESS PLC

  公开号：WO2010097604A2

  公开（公告）日：2010-09-02

  A compound of formula I, or a pharmaceutically acceptable salt thereof, wherein - X1, X2 and X3 are each independently where Y is an alkylene, alkenylene or alkynylene group, each of which may be optionally substituted with one or more substituents selected from alkyl, halo, CF3, OH, alkoxy, NH2, CN, NO2 and COOH; W is absent or is O, S or NH; R1, R2, R3 and R4 are each independently selected from H, alkyl, aryl and a protecting group Pi; R7, R8 and R9 are each independently selected from H, alkyl, halo, CF3, OH, alkoxy, CN, NO2 and COOH; - q is 1, 2, 3 or 4; q' is 0, 1, 2 or 3, where q + q' equals 4; p and r are each independently 1, 2, 3, 4 or 5; p' and r' are each independently 0, 1, 2, 3 or 4, where p + p' and r + r' each equal 5; and - n is 0, 1, 2, 3, 4, 5 or 6.
• [EN] GUANIDINO-SUBSTITUTED BI- AND POLYPHENYLS AS SMALL MOLECULE CARRIERS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：UCL BUSINESS PLC

  公开号：WO2010097604A3

  公开（公告）日：2010-10-21