12-(trifluoromethyl)-3-oxa-11-thia-13-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),12-hexaene-2,4-dione | 862135-86-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 12-(trifluoromethyl)-3-oxa-11-thia-13-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),12-hexaene-2,4-dione
• CAS: 862135-86-2
• 化学式: C₁₄H₄F₃NO₃S
• 分子量: 323.252
• InChiKey: RPOIIFFJBDEJEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  56.26
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  12-(trifluoromethyl)-3-oxa-11-thia-13-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),12-hexaene-2,4-dione 、 N,N-二甲基-1,3-二氨基丙烷 以 乙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Novel thiazonaphthalimides as efficient antitumor and DNA photocleaving agents: Effects of intercalation, side chains, and substituent groups

  摘要：

  A series of novel antitumor and DNA photocleaving agents was designed and synthesized by fusing a (substituted) thiazole ring to the naphthalimide skeletons. C-1, the most active compound against A549. was about 10-fold more cytotoxic than the compound amonafide. A,. the most active compound against P388, was about 6-fold more cylotoxic than amonafide. C-2, the most efficient DNA intercalator, showed the strongest DNA photocleaving activity Via Superoxide anion produced under UV light at 360 nm. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.05.006
• 作为产物：
  描述：

  4-溴-3-硝基-1,8-萘酐 在 盐酸 、 sodium sulfide 、 sulfur 作用下， 以 水 为溶剂， 反应 12.0h， 生成 12-(trifluoromethyl)-3-oxa-11-thia-13-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),12-hexaene-2,4-dione
  参考文献：
  名称：

  Novel thiazonaphthalimides as efficient antitumor and DNA photocleaving agents: Effects of intercalation, side chains, and substituent groups

  摘要：

  A series of novel antitumor and DNA photocleaving agents was designed and synthesized by fusing a (substituted) thiazole ring to the naphthalimide skeletons. C-1, the most active compound against A549. was about 10-fold more cytotoxic than the compound amonafide. A,. the most active compound against P388, was about 6-fold more cylotoxic than amonafide. C-2, the most efficient DNA intercalator, showed the strongest DNA photocleaving activity Via Superoxide anion produced under UV light at 360 nm. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.05.006