6-Chloro-5-[(3,5-dimethylphenyl)sulfanyl]-1H-indazole-4,7-dione | 918961-35-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-Chloro-5-[(3,5-dimethylphenyl)sulfanyl]-1H-indazole-4,7-dione
• 英文别名: 6-chloro-5-(3,5-dimethylphenyl)sulfanyl-1H-indazole-4,7-dione
• CAS: 918961-35-0
• 化学式: C₁₅H₁₁ClN₂O₂S
• 分子量: 318.784
• InChiKey: UPJUVYZDHRCPTE-UHFFFAOYSA-N

物化性质

• 沸点：
  503.0±50.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  88.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-硝基吲唑 在 platinum(IV) oxide 盐酸 、 sodium chlorate 、 氢氧化钾 、 cerium(III) chloride 、 氢气 、 羟胺 作用下， 以 乙醇 为溶剂， 20.0~65.0 ℃ 、206.84 kPa 条件下， 反应 15.0h， 生成 6-Chloro-5-[(3,5-dimethylphenyl)sulfanyl]-1H-indazole-4,7-dione
  参考文献：
  名称：

  Synthesis and biological evaluation of 5-arylamino-6-chloro-1H-indazole-4,7-diones as inhibitors of protein kinase B/Akt

  摘要：

  A series of 5-arylamino-6-chloro-1H-indazole-4,7-diones were synthesized and evaluated for their inhibitory activity on protein kinase B/Akt. The compounds exhibited a potent Akt1 inhibitory activity. Further mechanistic study revealed that they might have dual inhibitory effects on both activity and phosphorylation of Akt1 in PC-3 tumor cell line.

  DOI：

  10.1016/j.bmcl.2006.08.120

文献信息

• Synthesis and biological evaluation of 5-arylamino-6-chloro-1H-indazole-4,7-diones as inhibitors of protein kinase B/Akt
  作者：Jong Hee Ko、Seung Woo Yeon、Jung Su Ryu、Tae-Yong Kim、Eun-Ha Song、Hea-Jung You、Rae-Eun Park、Chung-Kyu Ryu

  DOI：10.1016/j.bmcl.2006.08.120

  日期：2006.12

  A series of 5-arylamino-6-chloro-1H-indazole-4,7-diones were synthesized and evaluated for their inhibitory activity on protein kinase B/Akt. The compounds exhibited a potent Akt1 inhibitory activity. Further mechanistic study revealed that they might have dual inhibitory effects on both activity and phosphorylation of Akt1 in PC-3 tumor cell line.