tetrahydro-9,10-epoxybenzopyrene | 88824-55-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: tetrahydro-9,10-epoxybenzopyrene
• 英文别名: 9,10-Epoxy-9,10,11,12-tetrahydro-benzopyren；9,10-epoxy-9,10,11,12-tetrahydro-benzo[e]pyrene；9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene；15-oxahexacyclo[10.7.2.05,20.08,21.013,19.014,16]henicosa-1,3,5(20),6,8(21),9,11,13(19)-octaene
• CAS: 88824-55-9
• 化学式: C₂₀H₁₄O
• 分子量: 270.331
• InChiKey: NFOQZWYTHSROKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tetrahydro-9,10-epoxybenzopyrene 在 sodium azide 、 甲基三辛基氯化铵 作用下， 以 甲苯 为溶剂， 反应 60.0h， 以92%的产率得到(+/-)-trans-9-azido-10-hydroxy-9,10,11,12-tetrahydrobenzopyrene
  参考文献：
  名称：

  Regioselective ring opening of polycyclic aromatic hydrocarbon epoxides by polymer-supported azide anion

  摘要：

  DOI：

  10.1021/jo00303a025
• 作为产物：
  描述：

  9,10-Dihydrobenzopyrene 生成 tetrahydro-9,10-epoxybenzopyrene
  参考文献：
  名称：

  LEHR R. E.; TAYLOR C. W.; KUMAR S.; MAH H. D.; JERINA D. M., J. ORG. CHEM., 1978, 43, NO 18, 3462-3466

  摘要：

  DOI：

文献信息

• Optically detected magnetic resonance evidence for carcinogen-nucleic acid interaction in the tetrahydro-9,10-epoxy benzo(e)pyrene-DNA adduct
  作者：Steven M. Lefkowitz、Henry C. Brenner

  DOI：10.1021/ja00407a061

  日期：1981.8
• Multi-stage stem cell carcinogenesis
  申请人：Krtolica Ana

  公开号：US20100162416A1

  公开（公告）日：2010-06-24

  The present invention relates to a system of multi-stage stem cell carcinogenesis and a method of generating such multi-stage stem cell carcinogenesis system. Various stages of cancer stem cells can be generated from normal stem cells via mutagenesis. The system of the present invention enables monitoring changes in the ability of cells to transition from one stage of carcinogenesis to another and to identify genetic pathways and molecules that influence carcinogenesis. The present invention also enables a high-throughput and nonbiased screening for targets that preferentially affect cancer stem cells relative to non-cancer stem cells or their derivatives during stem cell carcinogenesis, thus is useful in developing anti-cancer therapeutics.
• Regioselective ring opening of polycyclic aromatic hydrocarbon epoxides by polymer-supported azide anion
  作者：Maheshkumar Lakshman、Durgesh V. Nadkarni、Roland E. Lehr

  DOI：10.1021/jo00303a025

  日期：1990.8
• LEHR R. E.; TAYLOR C. W.; KUMAR S.; MAH H. D.; JERINA D. M., J. ORG. CHEM., 1978, 43, NO 18, 3462-3466
  作者：LEHR R. E.、 TAYLOR C. W.、 KUMAR S.、 MAH H. D.、 JERINA D. M.

  DOI：——

  日期：——