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N4-[3-(4-{3-[di(cyclopropylmethyl)amino]propyl}piperazino)propyl]-7-chloroquinolin-4-amine

中文名称
——
中文别名
——
英文名称
N4-[3-(4-{3-[di(cyclopropylmethyl)amino]propyl}piperazino)propyl]-7-chloroquinolin-4-amine
英文别名
N-(3-(4-(3-(bis(cyclopropylmethyl)amino)propyl)piperazin-1-yl)propyl)-7-chloroquinolin-4-amine;N-[3-[4-[3-[bis(cyclopropylmethyl)amino]propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
N4-[3-(4-{3-[di(cyclopropylmethyl)amino]propyl}piperazino)propyl]-7-chloroquinolin-4-amine化学式
CAS
——
化学式
C27H40ClN5
mdl
——
分子量
470.101
InChiKey
NJVDETRDEAELLF-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    4.8
  • 重原子数:
    33
  • 可旋转键数:
    13
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.67
  • 拓扑面积:
    34.6
  • 氢给体数:
    1
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    参考文献:
    名称:
    Synthesis and in Vitro and in Vivo Antimalarial Activity of N-(7-Chloro-4-quinolyl)-1,4-bis(3-aminopropyl)piperazine Derivatives
    摘要:
    Three series of monoquinolines consisting of a 1,4-bis(3-aminopropyl)piperazine linker and a large variety of terminal groups were synthesized. Our aim was to prove that in related bisquinoline, it is the second quinoline moiety that is responsible for cytotoxicity and that it is not an absolute requirement for overcoming resistance to chloroquine (CQ). Eleven compounds displayed a higher selectivity index (ratio CC50/IC50 activity) than CQ and one of them cured mice infected by Plasmodium berghei.
    DOI:
    10.1021/jm020960r
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文献信息

  • WO2006/51489
    申请人:——
    公开号:——
    公开(公告)日:——
  • Synthesis and in Vitro and in Vivo Antimalarial Activity of N-(7-Chloro-4-quinolyl)-1,4-bis(3-aminopropyl)piperazine Derivatives
    作者:Adina Ryckebusch、Rébecca Deprez-Poulain、Louis Maes、Marie-Ange Debreu-Fontaine、Elisabeth Mouray、Philippe Grellier、Christian Sergheraert
    DOI:10.1021/jm020960r
    日期:2003.2.1
    Three series of monoquinolines consisting of a 1,4-bis(3-aminopropyl)piperazine linker and a large variety of terminal groups were synthesized. Our aim was to prove that in related bisquinoline, it is the second quinoline moiety that is responsible for cytotoxicity and that it is not an absolute requirement for overcoming resistance to chloroquine (CQ). Eleven compounds displayed a higher selectivity index (ratio CC50/IC50 activity) than CQ and one of them cured mice infected by Plasmodium berghei.
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