1,4-bis[(6'-(8-psoralenoxy))hexyl]piperazine | 312694-17-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 1,4-bis[(6'-(8-psoralenoxy))hexyl]piperazine
• 英文别名: 9-[6-[4-[6-(7-Oxofuro[3,2-g]chromen-9-yl)oxyhexyl]piperazin-1-yl]hexoxy]furo[3,2-g]chromen-7-one；9-[6-[4-[6-(7-oxofuro[3,2-g]chromen-9-yl)oxyhexyl]piperazin-1-yl]hexoxy]furo[3,2-g]chromen-7-one
• CAS: 312694-17-0
• 化学式: C₃₈H₄₂N₂O₈
• 分子量: 654.76
• InChiKey: YRNSBEQJWNUDMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  48
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  花椒毒醇 在 potassium carbonate 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 60.0h， 生成 1,4-bis[(6'-(8-psoralenoxy))hexyl]piperazine
  参考文献：
  名称：

  Photochemical and Photobiological Properties of New Bispsoralen Derivatives (Bis[PsCn]PIP, n = 4, 6, 8)¶

  摘要：

  Bispsoralen derivatives possessing two psoralens and one piperazine molecule, 1,4-bis[n'-(8-psoralenoxy) alkyl] piperazine (Bis[PsC(n)]PIP, n = 4, 6, 8), show high water solubility, efficient intercalation into DNA and good photocrosslinking efficiency of DNA. Bis(PsC(4))PIP shows high lethality on bacteriophage T7 and can effectively inhibit the amplification of DNA by stopping the polymerase chain reactions in a short period of irradiation time.

  DOI：

  10.1562/0031-8655(2000)072<0472:pappon>2.0.co;2

文献信息

• Photochemical and Photobiological Properties of New Bispsoralen Derivatives (Bis[PsCn]PIP, n = 4, 6, 8)¶
  作者：Sung Ki Kim、Han Oh Park、Sang Chul Shim

  DOI：10.1562/0031-8655(2000)072<0472:pappon>2.0.co;2

  日期：——

  Bispsoralen derivatives possessing two psoralens and one piperazine molecule, 1,4-bis[n'-(8-psoralenoxy) alkyl] piperazine (Bis[PsC(n)]PIP, n = 4, 6, 8), show high water solubility, efficient intercalation into DNA and good photocrosslinking efficiency of DNA. Bis(PsC(4))PIP shows high lethality on bacteriophage T7 and can effectively inhibit the amplification of DNA by stopping the polymerase chain reactions in a short period of irradiation time.