4-<2-(N,N-di-n-propylamino)ethyl>-nitrobenzene | 5339-24-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-<2-(N,N-di-n-propylamino)ethyl>-nitrobenzene
• 英文别名: (4-nitro-phenethyl)-dipropyl-amine；(4-Nitro-phenaethyl)-dipropyl-amin；Benzeneethanamine, 4-nitro-N,N-dipropyl-；N-[2-(4-nitrophenyl)ethyl]-N-propylpropan-1-amine
• CAS: 5339-24-2
• 化学式: C₁₄H₂₂N₂O₂
• 分子量: 250.341
• InChiKey: XKHPCBLMTZYALS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2921199090

反应信息

• 作为反应物：
  描述：

  4-<2-(N,N-di-n-propylamino)ethyl>-nitrobenzene 在 Ra-Ni 氢氧化钾 、 硫酸 、 硝酸 、 一水合肼 作用下， 以 乙醇 、 二氯甲烷 、 水 、 乙酸酐 、 1,2-二氯乙烷 为溶剂， 反应 10.5h， 生成 5-<2-(N,N-di-n-propylamino)ethyl>-1,3-dihydro-2H-benzimidazol-2-thione
  参考文献：
  名称：

  Kostic; Soskic; Joksimovic, Arzneimittel-Forschung/Drug Research, 1994, vol. 44, # 6, p. 697 - 702

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-硝基苯基)乙酰氯 在 diborane(6) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 4-<2-(N,N-di-n-propylamino)ethyl>-nitrobenzene
  参考文献：
  名称：

  Kostic; Soskic; Joksimovic, Arzneimittel-Forschung/Drug Research, 1994, vol. 44, # 6, p. 697 - 702

  摘要：

  DOI：

文献信息

• PHENYLSULFONAMIDE-PHENYLETHYLAMINES USEFUL AS DOPAMINE RECEPTORS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1077935B1

  公开（公告）日：2003-10-29
• Partial dopamine receptor agonists with different degrees of intrinsic activity within a series of 2-(4-aminophenyl)-N,N-dipropylethylamine derivatives: synthetic chemistry and structure-activity relationships
  作者：L Florvall、V Hillegaart、A Malmberg、A Wijkström、S Ahlenius

  DOI：10.1016/0223-5234(96)80446-6

  日期：1996.1

  A series of 2-(4-aminophenyl)-N,N-dipropylethylamine derivatives were synthesized and tested for in vivo intrinsic activity at brain dopamine receptors in the rat. Differences in the sensitivity of dopamine receptors pre and post-synaptically in the reserpine-treated rat were used to estimate the intrinsic activity of the various compounds as dopamine receptor agonists. Thus, the ability of the compounds to antagonize reserpine-induced increase in neostriatal dopamine synthesis and the suppression of spontaneous locomotor activity were taken as pre-and post-synaptic indices, respectively. The compounds in the present series display a gradient of intrinsic activity depending on the substituents in the aromatic ring. The presence of an amino group or an appropriate acylamino group in the 4-position was found to be critical for the biological activity of these compounds as agonists or antagonists. The introduction of halogen or a trifluoromethyl group In the 3-position resulted in high intrinsic activity (ie, agonist activity). The incorporation of a methyl group in the 3-position or halogens in the 3,5-positions resulted in a gradual decrease in intrinsic activity at rat brain dopamine receptors resulting in a series of compounds ranging from a full agonist to dopamine receptor blockade.
• Kostic; Soskic; Joksimovic, Arzneimittel-Forschung/Drug Research, 1994, vol. 44, # 6, p. 697 - 702
  作者：Kostic、Soskic、Joksimovic

  DOI：——

  日期：——