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| 1417626-88-0

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
1417626-88-0
化学式
C18H30N4
mdl
——
分子量
302.463
InChiKey
BKVCHXNTSYNUHB-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):
    2.83
  • 重原子数:
    22.0
  • 可旋转键数:
    6.0
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.72
  • 拓扑面积:
    31.4
  • 氢给体数:
    1.0
  • 氢受体数:
    4.0

反应信息

  • 作为反应物:
    描述:
    草酸乙醚 为溶剂, 生成
    参考文献:
    名称:
    2-Aminopyridine Derivatives as Potential σ2Receptor Antagonists
    摘要:
    Abstractσ2 Receptor research is receiving increasing interest with regard to the potential of σ2 proteins as targets for tumor therapy and diagnosis. Nevertheless, knowledge about the σ2 receptor is far from conclusive. The paucity and modest affinity of known σ2 antagonists represent one of the limitations to σ2 receptor research. Previous studies of the high‐affinity σ2 agonist 1‐cyclohexyl‐4‐[3‐(5‐methoxy‐1,2,3,4‐tetrahydronaphthalen‐1‐yl)‐n‐propyl]piperazine 4 (PB28) suggested that a decrease in lipophilicity might lead to σ2 ligands devoid of antiproliferative activity (potential σ2 antagonists). With the aim of producing σ2 receptor antagonists, we replaced the tetralin nucleus of compound 4 with a 2‐aminopyridine moiety. A series of compounds with high affinity for both σ subtypes and with no antiproliferative activity in various cells (mouse HT‐22, human SK‐N‐SH, MCF‐7wt, and MCF‐7σ1) were obtained. The effect on Ca2+ mobilization was investigated for high‐affinity compounds 18 and 4, which showed opposite effects. All of the data support the new 2‐aminopyridines as high‐affinity σ ligands with σ2 antagonist and σ1 agonist activity, and, despite the lack of significant σ2 versus σ1 selectivity, these novel compounds may be better tools for σ receptor research than the known low‐affinity σ2 antagonists.
    DOI:
    10.1002/cmdc.201200246
  • 作为产物:
    描述:
    2-溴吡啶-1-氧化物三乙胺三氯化磷 作用下, 以 氯仿正丁醇 为溶剂, 反应 21.0h, 生成
    参考文献:
    名称:
    2-Aminopyridine Derivatives as Potential σ2Receptor Antagonists
    摘要:
    Abstractσ2 Receptor research is receiving increasing interest with regard to the potential of σ2 proteins as targets for tumor therapy and diagnosis. Nevertheless, knowledge about the σ2 receptor is far from conclusive. The paucity and modest affinity of known σ2 antagonists represent one of the limitations to σ2 receptor research. Previous studies of the high‐affinity σ2 agonist 1‐cyclohexyl‐4‐[3‐(5‐methoxy‐1,2,3,4‐tetrahydronaphthalen‐1‐yl)‐n‐propyl]piperazine 4 (PB28) suggested that a decrease in lipophilicity might lead to σ2 ligands devoid of antiproliferative activity (potential σ2 antagonists). With the aim of producing σ2 receptor antagonists, we replaced the tetralin nucleus of compound 4 with a 2‐aminopyridine moiety. A series of compounds with high affinity for both σ subtypes and with no antiproliferative activity in various cells (mouse HT‐22, human SK‐N‐SH, MCF‐7wt, and MCF‐7σ1) were obtained. The effect on Ca2+ mobilization was investigated for high‐affinity compounds 18 and 4, which showed opposite effects. All of the data support the new 2‐aminopyridines as high‐affinity σ ligands with σ2 antagonist and σ1 agonist activity, and, despite the lack of significant σ2 versus σ1 selectivity, these novel compounds may be better tools for σ receptor research than the known low‐affinity σ2 antagonists.
    DOI:
    10.1002/cmdc.201200246
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