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4-{[(3-Amino-propyl)-ethyl-amino]-methyl}-2-methoxy-phenol | 874813-59-9

中文名称
——
中文别名
——
英文名称
4-{[(3-Amino-propyl)-ethyl-amino]-methyl}-2-methoxy-phenol
英文别名
4-[[3-aminopropyl(ethyl)amino]methyl]-2-methoxyphenol
4-{[(3-Amino-propyl)-ethyl-amino]-methyl}-2-methoxy-phenol化学式
CAS
874813-59-9
化学式
C13H22N2O2
mdl
——
分子量
238.33
InChiKey
JZYKKAMWTBNMKS-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):
    1.2
  • 重原子数:
    17
  • 可旋转键数:
    7
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.54
  • 拓扑面积:
    58.7
  • 氢给体数:
    2
  • 氢受体数:
    4

反应信息

  • 作为反应物:
    描述:
    4-{[(3-Amino-propyl)-ethyl-amino]-methyl}-2-methoxy-phenol 、 2-methoxy-9-phenoxy-7-trifluoromethyl-acridine 以 二甲基亚砜 为溶剂, 反应 4.0h, 生成 4-({ethyl-[3-(2-methoxy-7-trifluoromethyl-acridin-9-ylamino)-propyl]-amino}-methyl)-2-methoxy-phenol
    参考文献:
    名称:
    Parallel synthesis of 9-aminoacridines and their evaluation against chloroquine-resistant Plasmodium falciparum
    摘要:
    A parallel synthetic strategy to the 9-aminoacridine scaffold of the classical anti-malarial drug quinacrine (2) is presented. The method features a new route to 9-chloroacridines that utilizes triflates of salicylic acid derivatives, which are commercially available in a variety of substitution patterns. The route allows ready variation of the two diversity elements present in this class of molecules: the tricyclic aromatic heterocyclic core, and the disubstituted diamine sidechain. In this study, a library of 175 compounds was designed, although only 93 of the final products had purities acceptable for screening. Impurity was generally due to incomplete removal of 9-acridones (18), a degradation product of the 9-chloroacridine synthetic intermediates. The library was screened against two strains of Plasmodium falciparum, including a model of the drug-resistant parasite, and six novel compounds were found to have IC50 values in the low nanomolar range. (c) 2005 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2005.08.017
  • 作为产物:
    描述:
    N-(3-Ethylamino-propyl)-2-nitro-benzenesulfonamide 在 三乙酰氧基硼氢化钠caesium carbonate苯硫酚 作用下, 以 四氢呋喃乙腈 为溶剂, 反应 1.0h, 生成 4-{[(3-Amino-propyl)-ethyl-amino]-methyl}-2-methoxy-phenol
    参考文献:
    名称:
    Parallel synthesis of 9-aminoacridines and their evaluation against chloroquine-resistant Plasmodium falciparum
    摘要:
    A parallel synthetic strategy to the 9-aminoacridine scaffold of the classical anti-malarial drug quinacrine (2) is presented. The method features a new route to 9-chloroacridines that utilizes triflates of salicylic acid derivatives, which are commercially available in a variety of substitution patterns. The route allows ready variation of the two diversity elements present in this class of molecules: the tricyclic aromatic heterocyclic core, and the disubstituted diamine sidechain. In this study, a library of 175 compounds was designed, although only 93 of the final products had purities acceptable for screening. Impurity was generally due to incomplete removal of 9-acridones (18), a degradation product of the 9-chloroacridine synthetic intermediates. The library was screened against two strains of Plasmodium falciparum, including a model of the drug-resistant parasite, and six novel compounds were found to have IC50 values in the low nanomolar range. (c) 2005 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2005.08.017
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