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6-butylbenzo[i]phenanthridin-5(6H)-one | 1228443-99-9

中文名称
——
中文别名
——
英文名称
6-butylbenzo[i]phenanthridin-5(6H)-one
英文别名
6-butylbenzo[i]phenanthridin-5-one
6-butylbenzo[i]phenanthridin-5(6H)-one化学式
CAS
1228443-99-9
化学式
C21H19NO
mdl
——
分子量
301.388
InChiKey
DBQFIDMDLULNGT-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):
    5.1
  • 重原子数:
    23
  • 可旋转键数:
    3
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.19
  • 拓扑面积:
    20.3
  • 氢给体数:
    0
  • 氢受体数:
    1

反应信息

  • 作为产物:
    描述:
    C21H20BrNO 在 palladium diacetate 、 caesium carbonate 、 tricyclohexylphosphine tetrafluoroborate 作用下, 以 N,N-二甲基乙酰胺 为溶剂, 生成 6-butylbenzo[i]phenanthridin-5(6H)-one
    参考文献:
    名称:
    Structural development studies of anti-hepatitis C virus agents with a phenanthridinone skeleton
    摘要:
    A phenanthridinone skeleton was derived from our previous researches on thalidomide and retinoids as a multi-template for generation of anti-viral lead compounds. Structural development studies focusing on anti-hepatitis C virus activity afforded 5-butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenanthridin-6(5H)-one (10) and 5-butylbenzo[b] phenanthridin-6(5H)-one(39), which showed EC50 values of approximately 3.7 and 3.2 mu M, respectively. (C) 2010 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2010.02.057
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文献信息

  • THERAPEUTIC AGENT FOR HEPATITIS C
    申请人:Baba Masanori
    公开号:US20120316342A1
    公开(公告)日:2012-12-13
    This invention provides a therapeutic agent for hepatitis C comprising, as an active ingredient, a compound having anti-HCV activity useful in treatment of hepatitis C. The therapeutic agent for hepatitis C comprises, as an active ingredient, a compound represented by formula (I) or a pharmaceutically acceptable salt thereof.
    这项发明提供了一种治疗丙型肝炎的药剂,其活性成分为具有抗丙型肝炎病毒活性的化合物,可用于治疗丙型肝炎。治疗丙型肝炎的药剂的活性成分包括由式(I)表示的化合物或其药用可接受的盐。
  • 10.1021/acs.orglett.4c01805
    作者:Li, Hao-Yuan、Niu, Xiaoying、Zhang, Shan-Shan、Shen, Shigang、Meng, Qing-Yuan、Yang, Xiu-Long
    DOI:10.1021/acs.orglett.4c01805
    日期:——
    Here, we explore a dehydrogenative 6π photocyclization method for N-substituted naphthalene carboxamides, which can be conducted in air. This method employs DMSO as both the reaction solvent and oxidant while also stabilizing the excited state of the substrate. Furthermore, the addition of photosensitizer enables the reaction to proceed under a 440–445 nm LED source via energy transfer. The proposed
    在这里,我们探索了一种N-取代萘甲酰胺的脱氢6π光环化方法,该方法可以在空气中进行。该方法采用DMSO作为反应溶剂和氧化剂,同时稳定底物的激发态。此外,光敏剂的添加使反应能够在 440-445 nm LED 光源下通过能量转移进行。所提出的机制最初通过 DFT 计算得到验证。
  • Structural development studies of anti-hepatitis C virus agents with a phenanthridinone skeleton
    作者:Masahiko Nakamura、Atsushi Aoyama、Mohammed T.A. Salim、Mika Okamoto、Masanori Baba、Hiroyuki Miyachi、Yuichi Hashimoto、Hiroshi Aoyama
    DOI:10.1016/j.bmc.2010.02.057
    日期:2010.4
    A phenanthridinone skeleton was derived from our previous researches on thalidomide and retinoids as a multi-template for generation of anti-viral lead compounds. Structural development studies focusing on anti-hepatitis C virus activity afforded 5-butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenanthridin-6(5H)-one (10) and 5-butylbenzo[b] phenanthridin-6(5H)-one(39), which showed EC50 values of approximately 3.7 and 3.2 mu M, respectively. (C) 2010 Elsevier Ltd. All rights reserved.
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