(6-Chloro-5-nitro-pyridin-2-yl)-diethyl-amine | 125173-53-7

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: (6-Chloro-5-nitro-pyridin-2-yl)-diethyl-amine
• 英文别名: 6-chloro-N,N-diethyl-5-nitropyridin-2-amine
• CAS: 125173-53-7
• 化学式: C₉H₁₂ClN₃O₂
• 分子量: 229.666
• InChiKey: DGFVANQFRNCCEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  59.27
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2,6-二氯-3-硝基吡啶 、 二乙胺 生成 (6-Chloro-5-nitro-pyridin-2-yl)-diethyl-amine
  参考文献：
  名称：

  JACOBSEN, E. JON;MCCALL, JOHN M.;AYER, DONALD E.;VAN, DOORNIK FRED J.;PAL+, J. MED. CHEM., 33,(1990) N, C. 1145-1151

  摘要：

  DOI：

文献信息

• Novel 21-aminosteroids that inhibit iron-dependent lipid peroxidation and protect against central nervous system trauma
  作者：E. Jon Jacobsen、John M. McCall、Donald E. Ayer、Fred J. VanDoornik、John R. Palmer、Kenneth L. Belonga、J. Mark Braughler、Edward D. Hall、David J. Houser

  DOI：10.1021/jm00166a010

  日期：1990.4

  A novel class of 21-aminosteroids has been developed. Compounds within this series are potent inhibitors of iron-dependent lipid peroxidation in rat brain homogenates with IC50's as low as 3 microM. Furthermore, selected members enhance early neurological recovery and survival in a mouse head injury model. Significant improvement in the 1 h post-head-injury neurological status (grip test score) by as much as 168.6% of the control has been observed. The most efficacious compound in this assay (30) showed an increase in the 1-week survival of 78.6% as compared to 27.3% for the vehicle-treated mice in the head-injury model. Based on its biological profile, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16 alpha- methylpregna-1,4,9(11)-triene-3,20-dione monomethanesulfonate (30) was selected for further evaluation and is currently entering phase I clinical trials for the treatment of head and spinal trauma.