3-((4-fluorophenyl)(1H-pyrazol-1-yl)methyl)-1H-indole | 1393904-19-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-((4-fluorophenyl)(1H-pyrazol-1-yl)methyl)-1H-indole
• 英文别名: 3-[(4-fluorophenyl)-pyrazol-1-ylmethyl]-1H-indole
• CAS: 1393904-19-2
• 化学式: C₁₈H₁₄FN₃
• 分子量: 291.328
• InChiKey: LYAXEAULKHZBHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  33.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  吡唑 、 吲哚 、 对氟苯甲醛 以74%的产率得到3-((4-fluorophenyl)(1H-pyrazol-1-yl)methyl)-1H-indole
  参考文献：
  名称：

  Heterocycle-functional gramine analogues: Solvent- and catalyst-free synthesis and their inhibition activities against cell proliferation

  摘要：

  A series of novel gramine analogues were designed and synthesized via a convenient three-component reaction, and which were evaluated for their inhibition activities against cell proliferation. Their structures were confirmed by satisfactory spectra analyses mainly including H-1 NMR, and ESI-MS analyses. The preliminary assays indicated that some of the newly synthesized compounds displayed significantly good inhibition activities against human lung cancer (NCI-H460), hepatocellular liver carcinoma (HepG2), gastric cancer (SGC-7901 and BGC-823) cell lines compared with the control 5-Fluorouracil (5-FU), which might be developed as novel lead scaffold for potential anticancer agents. (c) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.05.003

文献信息

• Heterocycle-functional gramine analogues: Solvent- and catalyst-free synthesis and their inhibition activities against cell proliferation
  作者：Shaoyong Ke、Liqiao Shi、Xiufang Cao、Qingyu Yang、Ying Liang、Ziwen Yang

  DOI：10.1016/j.ejmech.2012.05.003

  日期：2012.8

  A series of novel gramine analogues were designed and synthesized via a convenient three-component reaction, and which were evaluated for their inhibition activities against cell proliferation. Their structures were confirmed by satisfactory spectra analyses mainly including H-1 NMR, and ESI-MS analyses. The preliminary assays indicated that some of the newly synthesized compounds displayed significantly good inhibition activities against human lung cancer (NCI-H460), hepatocellular liver carcinoma (HepG2), gastric cancer (SGC-7901 and BGC-823) cell lines compared with the control 5-Fluorouracil (5-FU), which might be developed as novel lead scaffold for potential anticancer agents. (c) 2012 Elsevier Masson SAS. All rights reserved.