7-Chloro-10-methoxy-3-nitro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one | 252056-90-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 7-Chloro-10-methoxy-3-nitro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
• CAS: 252056-90-9
• 化学式: C₁₅H₁₁ClN₂O₄
• 分子量: 318.716
• InChiKey: OUPXVUGZNHRHSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.98
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  82.33
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  7-Chloro-10-methoxy-3-nitro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one 在 palladium on activated charcoal 亚硝酸特丁酯 、 甲酸铵 、 copper(ll) bromide 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 3-Bromo-10-methoxy-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
  参考文献：
  名称：

  Analogues of 1-(3,10-Dibromo-8-chloro-6,11-dihydro-5 H -benzo[5,6]-cyclohepta[1,2- b ]pyridin-11-yl)piperidine as inhibitors of farnesyl protein transferase

  摘要：

  The synthesis of several 4-pyridylacetyl N-oxide derivatives of 4-(3-bromo-6,11-dihydro-5H-benzo[5,6]-cyclohepta[1,2-b]-pyridin-11-yl)pi perazine/piperidine 3 is described. This study was aimed at identifying fomesyl protein transferase (FPT) inhibitors in these two series of tricycles containing different phenyl ring substituents. The in vitro activity profile of the initial group of compounds 7a-7g led to the synthesis of the 8-methyl-10-methoxy and 8-methyl-10-bromo analogues 7i, 13i, and 13j. The 11R(-) enantiomers of these compounds were found to exhibit potent in vitro FPT inhibition activity.

  DOI：

  10.1016/s0968-0896(99)00103-0
• 作为产物：
  描述：

  7-Chloro-10-methoxy-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one 在 四丁基硝酸铵 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 以45%的产率得到7-Chloro-10-methoxy-3-nitro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
  参考文献：
  名称：

  Analogues of 1-(3,10-Dibromo-8-chloro-6,11-dihydro-5 H -benzo[5,6]-cyclohepta[1,2- b ]pyridin-11-yl)piperidine as inhibitors of farnesyl protein transferase

  摘要：

  The synthesis of several 4-pyridylacetyl N-oxide derivatives of 4-(3-bromo-6,11-dihydro-5H-benzo[5,6]-cyclohepta[1,2-b]-pyridin-11-yl)pi perazine/piperidine 3 is described. This study was aimed at identifying fomesyl protein transferase (FPT) inhibitors in these two series of tricycles containing different phenyl ring substituents. The in vitro activity profile of the initial group of compounds 7a-7g led to the synthesis of the 8-methyl-10-methoxy and 8-methyl-10-bromo analogues 7i, 13i, and 13j. The 11R(-) enantiomers of these compounds were found to exhibit potent in vitro FPT inhibition activity.

  DOI：

  10.1016/s0968-0896(99)00103-0