1-[4-([5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxadiazol-3-yl]methylamino)phenyl]-1-ethanone | 54543-80-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-([5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxadiazol-3-yl]methylamino)phenyl]-1-ethanone
• 英文别名: S731987；1-(4-{[5-(2-hydroxy-phenyl)-2-thioxo-[1,3,4]oxadiazol-3-ylmethyl]-amino}-phenyl)-ethanone；1-(4-{[5-(2-Hydroxy-phenyl)-2-thiox o-[1,4]oxadiazol-3-ylmethyl]-amin o}-phenyl)-ethanone；1-[4-[[5-(2-hydroxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]phenyl]ethanone
• CAS: 54543-80-5
• 化学式: C₁₇H₁₅N₃O₃S
• 分子量: 341.39
• InChiKey: BZJBYBVHJYZQJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  水杨酰肼 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 15.0h， 生成 1-[4-([5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxadiazol-3-yl]methylamino)phenyl]-1-ethanone
  参考文献：
  名称：

  Novel 5-(2-hydroxyphenyl)-3-substituted-2,3-dihydro-1,3,4-oxadiazole-2-thione derivatives: Promising anticancer agents

  摘要：

  A series of 5-(2-hydroxyphenyl)-3-susstituted-2,3-dihydro-1,3,4-oxadiazole-2-thione derivatives was synthesized and 13 of them were selected by the National Cancer Institute (NCl) and evaluated for their in vitro anticancer activity. Seven of the investigated compounds, 3i, 3j, 3k, 3o, 3p, 3q, and 3r, displayed high anticancer activity in the primary assay. These compounds have been selected for a full anticancer screening against a 60-cell panel assay where they showed non-selective broad spectrum and promising activity against all cancer cell lines. Compounds 3j and 3k proved to be the active members in this Study compared to 5-fluorouracil and cyclophosphamide as reference drugs, respectively. Compounds 3j and 3k were identified as promising lead compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.09.053

文献信息

• Ram,V.J.; Pandey,H.N., Journal of the Indian Chemical Society, 1974, vol. 51, p. 634 - 635
  作者：Ram,V.J.、Pandey,H.N.

  DOI：——

  日期：——