| 1415219-59-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1415219-59-8
• 化学式: C₂₂H₂₂N₂O₄
• 分子量: 378.428
• InChiKey: WRRFCVPGGKZJGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.41
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  60.36
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 1-(4-azidobutyl)-1H-indole-2,3-dione 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis and cytotoxicity studies of 3,5-diaryl N-acetyl pyrazoline—isatin hybrids

  摘要：

  Numerous reports highlighting the cytotoxic effects of 3,5-diaryl N-acetyl-pyrazolines and isatin tempted us to synthesise conjugates of the functionalities via alkyl armed triazole tetheration. The hybrids were synthesized by click chemistry approach and were evaluated against a panel of cell lines i.e. viz HeLa (cervix cancer), CAKI-I (Renal cancer), PC-3 (Prostate cancer) and Miapaca-2 (pancreatic cancer). The hybrids were classified into right-handed and left-handed conjugates on the basis of the placement of the isatin ring. The length of the alkyl armed triazole linker was varied from 2 to 6. Structure activity relationship has also been presented. A preliminary cytotoxic assay was performed on the series of 3,5-diaryl N-acetyl-pyrazolines and only the potent 3,5-diaryl N-acetyl-pyrazolines were selected for their inclusion in the hybrid scaffold. Among the cell lines employed, HeLa cell line was the most sensitive towards the exposure of test compounds. Out of all the compounds evaluated, two right-handed conjugates MI-7b and MI-8b and two left-handed conjugates MI-4b, MI-6b displayed significant cytotoxic potential and exhibited an IC50 range from 1.3 to 3.5 mu M against HeLa Cell line..

  DOI：

  10.1007/s00044-014-1001-5
• 作为产物：
  描述：

  1-[4-(2-丙炔基氧基)苯基]-1-乙酮 在 一水合肼 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  7-氯喹啉-查尔酮/-吡唑啉结合物：合成、抗分枝杆菌和细胞毒活性

  摘要：

  使用 1,3-偶极环加成法合成了一系列 1 H -1,2,3-三唑连接的 7-氯喹啉-查耳酮和 7-氯喹啉-吡唑啉，并评估了它们的抗分枝杆菌和细胞毒活性。A环上具有O-甲氧基取代基和B环上对甲氧基以及吡唑啉环具有中等活性且无细胞毒性的化合物。

  DOI：

  10.1002/jhet.4486

文献信息

• Synthesis of 1,2,3-triazole tethered bifunctional hybrids by click chemistry and their cytotoxic studies
  作者：Jagjeet Singh、Sahil Sharma、A. K. Saxena、Kunal Nepali、Preet Mohinder Singh Bedi

  DOI：10.1007/s00044-012-0312-7

  日期：2013.7

  for cytotoxic studies against three human cancer cell lines (THP, COLO-205, A-549). The results of the preliminary investigation exhibited marked dependence of the cytotoxic activity on the electronic factors. Placement of naphthyl (JGPT-11) and trimethoxy phenyl ring (JGPT-6) as ring A proved to be extremely beneficial in enhancing the cytotoxic potential. Thus we herein report the synthesis and cytotoxic

  考虑到目前使用的大多数抗癌药物的耐药性，已合成了吡唑基查耳酮和由三唑环束缚的对硝基苄基官能团的分子杂合物，并评估了其对三种人类癌细胞系（THP，COLO-205）的细胞毒性研究，A-549）。初步研究的结果显示出细胞毒性活性对电子因子的显着依赖性。萘基（JGPT-11）和三甲氧基苯基环（JGPT-6）作为环A的放置被证明对增强细胞毒性潜力极为有利。因此，我们在本文中报道了新型分子杂合体的合成和细胞毒性研究。对JGPT-11和6的生物学机理的详细研究正在进行中。
• 4-Aminoquinoline-chalcone/- N -acetylpyrazoline conjugates: Synthesis and antiplasmodial evaluation
  作者：Sumit Kumar、Anu Saini、Jiri Gut、Philip J. Rosenthal、Raghu Raj、Vipan Kumar

  DOI：10.1016/j.ejmech.2017.07.041

  日期：2017.9

  1H-1,2,3-triazole linked 4-aminoquinoline-chalcone/-N-acetylpyrazoline conjugates were synthesized and evaluated against cultured chloroquine (CQ) resistant strain. Antiplasmodial activities of the synthesized conjugates revealed dependence of activity on the length of the alkyl chain as well as on the presence of methoxy substituents on ring A/ring B of the chalcone. The most potent and non-cytotoxic conjugate showed comparable antiplasmodial activity with that of CQ with an IC50 value of 53.7 nM. (C) 2017 Elsevier Masson SAS. All rights reserved.