2-(5-fluoro-2,3-dioxoindolin-1-yl)ethyl 4-(3,4-dichlorophenyl)piperazine-1-carbodithioate | 1422039-26-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(5-fluoro-2,3-dioxoindolin-1-yl)ethyl 4-(3,4-dichlorophenyl)piperazine-1-carbodithioate
• 英文别名: 2-(5-Fluoro-2,3-dioxo-indolin-1-yl)ethyl 4-(3,4-dichlorophenyl)piperazine-1-carbodithioate；2-(5-fluoro-2,3-dioxoindol-1-yl)ethyl 4-(3,4-dichlorophenyl)piperazine-1-carbodithioate
• CAS: 1422039-26-6
• 化学式: C₂₁H₁₈Cl₂FN₃O₂S₂
• 分子量: 498.429
• InChiKey: BGCGXQRFSBKKHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(3,4-二氯苯基)哌嗪 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 6.9h， 生成 2-(5-fluoro-2,3-dioxoindolin-1-yl)ethyl 4-(3,4-dichlorophenyl)piperazine-1-carbodithioate
  参考文献：
  名称：

  New carbodithioate derivatives: synthesis, characterization, and in vitro antibacterial, antifungal, antitubercular, and antimalarial activity

  摘要：

  A series of structurally new, 2-(5-substituted-2,3-dioxoindolin-1-yl)ethyl/propyl 4-(3,4-dichlorophenyl)piperazine-1-carbodithioate derivatives 5a-j were designed and synthesized by conventional technique as well as ultrasound irradiation. All the new compounds were characterized by spectral and elemental analyses. Furthermore, they were evaluated for their in vitro antibacterial, antifungal, antitubercular, and antimalarial activities. The results indicated that some of the synthesized compounds posses promising antimicrobial activity against some gram-positive and gram-negative bacteria. Compounds 5b, 5d, and 5e displayed the highest inhibition (99 %) in the range of 3.10-6.25 mu g/ml against Mycobacterium tuberculosis H (37) Rv, while compounds 5b-g displayed promising antimalarial activity in the range of 0.043-0.092 mu g/mL against Plasmodium falciparum 3D7. Thus, these molecules can provide prospective leads in chemotherapy against tuberculosis and malaria.

  DOI：

  10.1007/s00044-013-0472-0

文献信息

• New carbodithioate derivatives: synthesis, characterization, and in vitro antibacterial, antifungal, antitubercular, and antimalarial activity
  作者：Tarunkumar Nanjibhai Akhaja、Jignesh Priyakant Raval

  DOI：10.1007/s00044-013-0472-0

  日期：2013.10

  A series of structurally new, 2-(5-substituted-2,3-dioxoindolin-1-yl)ethyl/propyl 4-(3,4-dichlorophenyl)piperazine-1-carbodithioate derivatives 5a-j were designed and synthesized by conventional technique as well as ultrasound irradiation. All the new compounds were characterized by spectral and elemental analyses. Furthermore, they were evaluated for their in vitro antibacterial, antifungal, antitubercular, and antimalarial activities. The results indicated that some of the synthesized compounds posses promising antimicrobial activity against some gram-positive and gram-negative bacteria. Compounds 5b, 5d, and 5e displayed the highest inhibition (99 %) in the range of 3.10-6.25 mu g/ml against Mycobacterium tuberculosis H (37) Rv, while compounds 5b-g displayed promising antimalarial activity in the range of 0.043-0.092 mu g/mL against Plasmodium falciparum 3D7. Thus, these molecules can provide prospective leads in chemotherapy against tuberculosis and malaria.