S-(dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-phenylacetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: S-(dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-phenylacetate
• 英文别名: [2-(2-chloro-2-phenylacetyl)oxy-3-dimethylarsanylsulfanylpropyl] 2-chloro-2-phenylacetate
• 化学式: C₂₁H₂₃AsCl₂O₄S
• 分子量: 517.305
• InChiKey: SNSGULBHZHJFPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.39
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  S-(dimethylarsino)-3-mercapto-1,2-propanediol 、 DL-2-氯-2-苯基乙酰氯 在 吡啶 作用下， 以 氯仿 为溶剂， 反应 10.0h， 以81%的产率得到S-(dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-phenylacetate
  参考文献：
  名称：

  Synthesis of S-dialkylarsino-3-mercapto-1,2-propanediols and evaluation of their anticancer activity

  摘要：

  Some new S-dialkylarsenic compounds, S-dialkylarsino-3-mercapto-1,2-propanediol (3a-3d) and their derivatives (4a,4b), have been synthesized. They were screened at the National Cancer Institute (NCI) for their anticancer activity against a panel of about 60 human tumor cell lines. Most of them display anticancer activity having GI(50) and LC50 values at low concentrations and are sensitive to leukemia, renal cancer and prostate cancer cell lines and in which the compound 3c is the most active. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.01.038

文献信息

• Synthesis of S-dialkylarsino-3-mercapto-1,2-propanediols and evaluation of their anticancer activity
  作者：Mingzhang Gao、Songde Tan、Yiwen Chen、Ralph A. Zingaro

  DOI：10.1016/j.bmc.2007.01.038

  日期：2007.4

  Some new S-dialkylarsenic compounds, S-dialkylarsino-3-mercapto-1,2-propanediol (3a-3d) and their derivatives (4a,4b), have been synthesized. They were screened at the National Cancer Institute (NCI) for their anticancer activity against a panel of about 60 human tumor cell lines. Most of them display anticancer activity having GI(50) and LC50 values at low concentrations and are sensitive to leukemia, renal cancer and prostate cancer cell lines and in which the compound 3c is the most active. (c) 2007 Elsevier Ltd. All rights reserved.