WM-isobu-OP(S)(OEt)2 | 941712-65-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: WM-isobu-OP(S)(OEt)2
• 英文别名: diethoxy-sulfanylidene-[3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]-2-[[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]methyl]propoxy]-lambda5-phosphane；diethoxy-sulfanylidene-[3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]-2-[[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]methyl]propoxy]-λ5-phosphane
• CAS: 941712-65-8
• 化学式: C₃₈H₆₃O₁₁PS
• 分子量: 758.951
• InChiKey: WTLZOKMRLKHFEV-UQEXJMOHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  51
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  134
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  O,O-二乙基硫代磷酰氯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.18h， 以56%的产率得到WM-isobu-OP(S)(OEt)2
  参考文献：
  名称：

  WO2007/67333

  摘要：

  公开号：

文献信息

• Malaria-Infected Mice Are Cured by Oral Administration of New Artemisinin Derivatives
  作者：Gary H. Posner、Wonsuk Chang、Lindsey Hess、Lauren Woodard、Sandra Sinishtaj、Aimee R. Usera、William Maio、Andrew S. Rosenthal、Alvin S. Kalinda、John G. D’Angelo、Kimberly S. Petersen、Remo Stohler、Jacques Chollet、Josefina Santo-Tomas、Christopher Snyder、Matthias Rottmann、Sergio Wittlin、Reto Brun、Theresa A. Shapiro

  DOI：10.1021/jm701168h

  日期：2008.2.1

  In four or five chemical steps from the 1,2,4-trioxane artemisinin, a new series of 23 trioxane dimers has been prepared. Eleven of these new trioxane dimers cure malaria-infected mice via oral dosing at 3 x 30 mg/kg. The clinically used trioxane drug sodium artesunate prolonged mouse average survival to 7.2 days with this oral dose regimen. In comparison, animals receiving no drug die typically on day 6-7 postinfection. At only 3 x 10 mg/kg oral dosing, seven dimers prolong the lifetime of malaria-infected mice to days 14-17, more than double the chemotherapeutic effect of sodium artesunate. Ten new trioxane dimers at only a single oral dose of 30 mg/kg prolong mouse average survival to days 8.7-13.7, and this effect is comparable to that of the fully synthetic trioxolane drug development candidate OZ277, which is in phase 11 clinical trials.
• WO2007/67333
  申请人：——

  公开号：——

  公开（公告）日：——