5-nitro-7-phenyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine | 1445376-44-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-nitro-7-phenyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
• CAS: 1445376-44-2
• 化学式: C₁₈H₁₈N₄O₃
• 分子量: 338.366
• InChiKey: RXQBKVOXPRVJIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  96.21
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5-nitro-7-phenyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine 在 碘苯二乙酸 、 palladium diacetate 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以39%的产率得到5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1,6-dihydropyrazolo[4,3-c]carbazole
  参考文献：
  名称：

  Identification of 1,6-dihydropyrazolo[4,3-c]carbazoles and 3,6-dihydropyrazolo[3,4-c]carbazoles as new Pim kinase inhibitors

  摘要：

  New 1,6-dihydropyrazolo[4,3-c]carbazoles and 3,6-dihydropyrazolo[3,4-c]carbazoles were prepared and evaluated for their Pim kinase inhibitory potencies as well as their antiproliferative activities toward two prostatic cancer cell lines. Pyrazolocarbazole 15a was found to be a potent Pim kinase modulator with inhibitory potency toward the three isoforms. Compound 6c strongly inhibited Pim-3 with weaker effect toward Pim-1 and Pim-2, and thus could be used as an interesting molecular tool to study Pim-3 biological functions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.05.011
• 作为产物：
  描述：

  7-iodo-5-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine 、 苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 4.0h， 以78%的产率得到5-nitro-7-phenyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
  参考文献：
  名称：

  Identification of 1,6-dihydropyrazolo[4,3-c]carbazoles and 3,6-dihydropyrazolo[3,4-c]carbazoles as new Pim kinase inhibitors

  摘要：

  New 1,6-dihydropyrazolo[4,3-c]carbazoles and 3,6-dihydropyrazolo[3,4-c]carbazoles were prepared and evaluated for their Pim kinase inhibitory potencies as well as their antiproliferative activities toward two prostatic cancer cell lines. Pyrazolocarbazole 15a was found to be a potent Pim kinase modulator with inhibitory potency toward the three isoforms. Compound 6c strongly inhibited Pim-3 with weaker effect toward Pim-1 and Pim-2, and thus could be used as an interesting molecular tool to study Pim-3 biological functions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.05.011