(6aR,7R,10aS)-1,4-difluoro-7-[(sulfamoylamino)methyl]-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromene | 1237802-05-9

• 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: (6aR,7R,10aS)-1,4-difluoro-7-[(sulfamoylamino)methyl]-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromene
• CAS: 1237802-05-9
• 化学式: C₂₁H₂₁F₅N₂O₅S₂
• 分子量: 540.532
• InChiKey: OTWYMALDSMAIOP-LCMPSIMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  [(6aR,7R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-7-yl]methanamine 、 氨基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (6aR,7R,10aS)-1,4-difluoro-7-[(sulfamoylamino)methyl]-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromene
  参考文献：
  名称：

  Tricyclic sulfones as orally active γ-secretase inhibitors: Synthesis and structure–activity relationship studies

  摘要：

  Tricyclic sulfones were designed as gamma-secretase inhibitors and found to have excellent potency. Extensive SAR shows that a large number of sulfonamides at position 7 of the tricycle are very well tolerated. Compounds such as 15a and 15c showed remarkable in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.104

文献信息

• Tricyclic sulfones as orally active γ-secretase inhibitors: Synthesis and structure–activity relationship studies
  作者：T.K. Sasikumar、Li Qiang、Duane A. Burnett、David Cole、Ruo Xu、Hongmei Li、William J. Greenlee、John Clader、Lili Zhang、Lynn Hyde

  DOI：10.1016/j.bmcl.2010.04.104

  日期：2010.6

  Tricyclic sulfones were designed as gamma-secretase inhibitors and found to have excellent potency. Extensive SAR shows that a large number of sulfonamides at position 7 of the tricycle are very well tolerated. Compounds such as 15a and 15c showed remarkable in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.