2-cyanoethyl [(6-phenoxypyridin-3-yl)methyl]dithiocarbamate | 1342816-48-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-cyanoethyl [(6-phenoxypyridin-3-yl)methyl]dithiocarbamate
• 英文别名: 2-cyanoethyl N-[(6-phenoxypyridin-3-yl)methyl]carbamodithioate
• CAS: 1342816-48-1
• 化学式: C₁₆H₁₅N₃OS₂
• 分子量: 329.447
• InChiKey: ZBCWXLJLYPPVAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF
  申请人：Li Runtao

  公开号：US20130136794A1

  公开（公告）日：2013-05-30

  Heteroaryl(alkyl)dithiocarbamate compounds represented by general formula (I) or their pharmaceutically acceptable salts, their preparing methods, and their uses for preparing antitumor medicines are disclosed, wherein each said substituent is defined as in the description. The compounds are new tyrosine kinase inhibitors useful as an anti-tumor agents, preferably useful in the preparation of medicines for treating breast cancer, liver cancer, non-small cell lung cancer, gastric cancer, colon cancer, leukaemia or nasal cancer.

  通用公式（I）表示的杂环烷基二硫代氨基甲酸酯化合物或其药学上可接受的盐，其制备方法以及用于制备抗肿瘤药物的用途被披露，其中每个取代基如描述中所定义。这些化合物是新的酪氨酸激酶抑制剂，可用作抗肿瘤剂，最好用于制备治疗乳腺癌、肝癌、非小细胞肺癌、胃癌、结肠癌、白血病或鼻癌的药物。