(5R)-4-methyl-5-naphthalenylmethyloxymethyl-[1,3,4]-oxathiazinane-3,3-dioxide | 1189331-98-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (5R)-4-methyl-5-naphthalenylmethyloxymethyl-[1,3,4]-oxathiazinane-3,3-dioxide
• 英文别名: (5R)-4-methyl-5-(naphthalen-2-ylmethoxymethyl)-[1,3,4]oxathiazinane 3,3-dioxide；(5R)-4-methyl-5-(naphthalen-2-ylmethoxymethyl)-1,3,4-oxathiazinane 3,3-dioxide
• CAS: 1189331-98-3
• 化学式: C₁₆H₁₉NO₄S
• 分子量: 321.397
• InChiKey: MSTRKKNMOQISQF-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  64.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (5R)-4-methyl-5-hydroxymethyl-[1,3,4]-oxathiazinane-3,3-dioxide 、 2-溴甲基萘 在 四丁基碘化铵 、 sodium hydroxide 作用下， 以 乙腈 、 水 为溶剂， 反应 0.25h， 以75%的产率得到(5R)-4-methyl-5-naphthalenylmethyloxymethyl-[1,3,4]-oxathiazinane-3,3-dioxide
  参考文献：
  名称：

  Synthesis of new oxathiazinane dioxides and their in vitro cancer cell growth inhibitory activity

  摘要：

  New oxathiazinane dioxides have been derived from D- and L-serine and tested for their in vitro cell growth inhibitory activity toward SKBR3 breast cancer cells. (5R)-5-(4-(4'-Bromomethyl)phenyl)benzyloxymethyl-[1,3,4]-oxathiazinane- 3,3-dioxide showed a cytotoxicity of IC50 approximate to 10 mu M. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.019

文献信息

• Synthesis of new oxathiazinane dioxides and their in vitro cancer cell growth inhibitory activity
  作者：Françoise Borcard、Matthias Baud、Claudia Bello、Giovanna Dal Bello、Francesco Grossi、Paolo Pronzato、Michele Cea、Alessio Nencioni、Pierre Vogel

  DOI：10.1016/j.bmcl.2009.09.019

  日期：2010.9

  New oxathiazinane dioxides have been derived from D- and L-serine and tested for their in vitro cell growth inhibitory activity toward SKBR3 breast cancer cells. (5R)-5-(4-(4'-Bromomethyl)phenyl)benzyloxymethyl-[1,3,4]-oxathiazinane- 3,3-dioxide showed a cytotoxicity of IC50 approximate to 10 mu M. (C) 2009 Elsevier Ltd. All rights reserved.