N-(1-hydrazinyl-1-oxopropan-2-yl)-2-phenylacetamide | 1272664-80-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(1-hydrazinyl-1-oxopropan-2-yl)-2-phenylacetamide
• CAS: 1272664-80-8
• 化学式: C₁₁H₁₅N₃O₂
• 分子量: 221.259
• InChiKey: AIVATSUHQJPGDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  84.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 N-(1-hydrazinyl-1-oxopropan-2-yl)-2-phenylacetamide 在 potassium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以70%的产率得到(S)-5-(1-(2-phenylacetamido)ethyl)-1,3,4-oxadiazole-2(3H)-thione
  参考文献：
  名称：

  Synthesis and antitumor evaluation of some 1,3,4-oxadiazole-2(3H)-thione and 1,2,4-triazole-5(1H)-thione derivatives

  摘要：

  A series of 1,3,4-oxadiazole-2-thione and 1,2,4-triazole-5-thione derivatives have been successfully synthesized and studied for their antitumor activity. These compounds were prepared from carboxylic acids and chiral aminoacid esters. The prepared compounds were evaluated for their cytotoxicity against cancer in vitro using hydroxyurea (HU) as positive control. A fair number of compounds were found to have significant antitumor activity. To study the molecular basis of interaction and affinity of binding of the target molecules, all the compounds were docked into the ATPase domain of TP-II and tubulin using Schrodinger.

  DOI：

  10.1007/s00044-010-9544-6
• 作为产物：
  描述：

  N-Phenylacetyl alanine methyl ester 在 一水合肼 作用下， 以 甲醇 为溶剂， 生成 N-(1-hydrazinyl-1-oxopropan-2-yl)-2-phenylacetamide
  参考文献：
  名称：

  Synthesis and antitumor evaluation of some 1,3,4-oxadiazole-2(3H)-thione and 1,2,4-triazole-5(1H)-thione derivatives

  摘要：

  A series of 1,3,4-oxadiazole-2-thione and 1,2,4-triazole-5-thione derivatives have been successfully synthesized and studied for their antitumor activity. These compounds were prepared from carboxylic acids and chiral aminoacid esters. The prepared compounds were evaluated for their cytotoxicity against cancer in vitro using hydroxyurea (HU) as positive control. A fair number of compounds were found to have significant antitumor activity. To study the molecular basis of interaction and affinity of binding of the target molecules, all the compounds were docked into the ATPase domain of TP-II and tubulin using Schrodinger.

  DOI：

  10.1007/s00044-010-9544-6

文献信息

• Synthesis and antitumor evaluation of some 1,3,4-oxadiazole-2(3H)-thione and 1,2,4-triazole-5(1H)-thione derivatives
  作者：ChengTao Feng、LingDong Wang、YuGang Yan、Jian Liu、ShaoHua Li

  DOI：10.1007/s00044-010-9544-6

  日期：2012.3

  A series of 1,3,4-oxadiazole-2-thione and 1,2,4-triazole-5-thione derivatives have been successfully synthesized and studied for their antitumor activity. These compounds were prepared from carboxylic acids and chiral aminoacid esters. The prepared compounds were evaluated for their cytotoxicity against cancer in vitro using hydroxyurea (HU) as positive control. A fair number of compounds were found to have significant antitumor activity. To study the molecular basis of interaction and affinity of binding of the target molecules, all the compounds were docked into the ATPase domain of TP-II and tubulin using Schrodinger.