1-[(3-Hydroxynaphthalene-2-carbonyl)amino]-3-propylthiourea | 498527-51-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[(3-Hydroxynaphthalene-2-carbonyl)amino]-3-propylthiourea
• CAS: 498527-51-8
• 化学式: C₁₅H₁₇N₃O₂S
• 分子量: 303.385
• InChiKey: NUEDQGLBLNSMOQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.293±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  106
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[(3-Hydroxynaphthalene-2-carbonyl)amino]-3-propylthiourea 在 sodium hydroxide 作用下， 反应 2.0h， 以87.5%的产率得到5-(3-Hydroxy-naphthalen-2-yl)-4-propyl-2,4-dihydro-[1,2,4]triazole-3-thione
  参考文献：
  名称：

  Synthesis and preliminary anticancer activity of new 1,4-dihydro-3-(3-hydroxy-2-naphthyl)-4-substituted-5H-1,2,4-triazoline-5-thiones

  摘要：

  1,4-Dihydro-3-(3-hydroxy-2-naphthyl)-4-substituted-5H-L2,4-triazolinc-5-thiones were synthesized. The structures of original eight compounds were confirmed by elemental analysis,H-1 NMR and mass spectral methods. One of the compounds (3a) was tested in vitro for its anticancer activity against 52 human tumor cell lines. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01248-x
• 作为产物：
  描述：

  异氰酸丙酯 、 3-羟基-2-萘酸肼 以 乙醇 为溶剂， 反应 3.0h， 生成 1-[(3-Hydroxynaphthalene-2-carbonyl)amino]-3-propylthiourea
  参考文献：
  名称：

  Synthesis and preliminary anticancer activity of new 1,4-dihydro-3-(3-hydroxy-2-naphthyl)-4-substituted-5H-1,2,4-triazoline-5-thiones

  摘要：

  1,4-Dihydro-3-(3-hydroxy-2-naphthyl)-4-substituted-5H-L2,4-triazolinc-5-thiones were synthesized. The structures of original eight compounds were confirmed by elemental analysis,H-1 NMR and mass spectral methods. One of the compounds (3a) was tested in vitro for its anticancer activity against 52 human tumor cell lines. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01248-x

文献信息

• Synthesis and preliminary anticancer activity of new 1,4-dihydro-3-(3-hydroxy-2-naphthyl)-4-substituted-5H-1,2,4-triazoline-5-thiones
  作者：A. Duran、H.N. Dogan、Sevim Rollas

  DOI：10.1016/s0014-827x(02)01248-x

  日期：2002.7

  1,4-Dihydro-3-(3-hydroxy-2-naphthyl)-4-substituted-5H-L2,4-triazolinc-5-thiones were synthesized. The structures of original eight compounds were confirmed by elemental analysis,H-1 NMR and mass spectral methods. One of the compounds (3a) was tested in vitro for its anticancer activity against 52 human tumor cell lines. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.