1-(3-Fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea | 224456-19-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(3-Fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
• CAS: 224456-19-3
• 化学式: C₁₈H₁₄FN₃O₂S
• 分子量: 355.392
• InChiKey: JQADALZLEYHRMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3-Fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea 在 硫酸 作用下， 反应 2.0h， 生成 2-(N-acetyl-N-m-fluorophenylamino)-5-(3-acetyloxy-2-naphthyl)-1,3,4-thiadiazole
  参考文献：
  名称：

  Synthesis of new 2,5-Disubstituted-1,3,4-thiadiazoles and preliminary evaluation of anticonvulsant and antimicrobial activities

  摘要：

  Two new series of 2.5-disubstituted-1,3.4-thiadiazoles were synthesized for their possible anticonvulsant. antibacterial and antifungal activities. The degree of protection afforded by these compounds at a dose of 100 mg/kg ip against pentylene-tetrazole-induced convulsions in mice ranged from 0 to 90%, Among these compounds, 2a (90%) and 2g (70%) showed maximum protection. Antimicrobial tests showed that the MIC value of 3j against Pseudomanas aeruginosa was equal to that of penicillin. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00143-8
• 作为产物：
  描述：

  异硫氰酸(3-氟苯)酯 、 3-羟基-2-萘酸肼 以 乙醇 为溶剂， 反应 3.0h， 生成 1-(3-Fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
  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