N-(5-methyl-2-nitrobenzyl)-3-phenylpropan-1-amine | 1234798-85-6

• 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: N-(5-methyl-2-nitrobenzyl)-3-phenylpropan-1-amine
• 英文别名: N-[(5-methyl-2-nitrophenyl)methyl]-3-phenylpropan-1-amine
• CAS: 1234798-85-6
• 化学式: C₁₇H₂₀N₂O₂
• 分子量: 284.358
• InChiKey: VEEQWIHUABELBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(5-methyl-2-nitrobenzyl)-3-phenylpropan-1-amine 在 palladium 10% on activated carbon 、 氢气 作用下， 20.0 ℃ 、206.85 kPa 条件下， 反应 5.0h， 生成
  参考文献：
  名称：

  Evaluation of 3,4-dihydroquinazoline-2(1H)-thiones as inhibitors of α-MSH-induced melanin production in melanoma B16 cells

  摘要：

  Novel 3,4-dihydroquinazoline-2(1H)-thiones (QNTs) 1 were found to be potent inhibitors of alpha-MSH-induced melanin production. The effect of QNTs to inhibit melanin formation in B16 melanoma cells was screened in the presence of alpha-MSH. In defining the mechanism of activity, the effects on tyrosinase activity, on tyrosinase synthesis and on the depigmentation of melanin were evaluated. QNTs did not affect the catalytic activity of tyrosinase, but rather acted as an inhibitor of tyrosinase synthesis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.01.005
• 作为产物：
  描述：

  3-苯基-1-丙胺 、 5-甲基-2-硝基苄氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到N-(5-methyl-2-nitrobenzyl)-3-phenylpropan-1-amine
  参考文献：
  名称：

  Evaluation of 3,4-dihydroquinazoline-2(1H)-thiones as inhibitors of α-MSH-induced melanin production in melanoma B16 cells

  摘要：

  Novel 3,4-dihydroquinazoline-2(1H)-thiones (QNTs) 1 were found to be potent inhibitors of alpha-MSH-induced melanin production. The effect of QNTs to inhibit melanin formation in B16 melanoma cells was screened in the presence of alpha-MSH. In defining the mechanism of activity, the effects on tyrosinase activity, on tyrosinase synthesis and on the depigmentation of melanin were evaluated. QNTs did not affect the catalytic activity of tyrosinase, but rather acted as an inhibitor of tyrosinase synthesis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.01.005