(6AR,8S,10AS)-10A-((4-氯苯基)磺酰基)-1,4-二氟-图6A,7,8 | 944949-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: (6AR,8S,10AS)-10A-((4-氯苯基)磺酰基)-1,4-二氟-图6A,7,8
• 英文名称: 10a-(4-chloro-benzenesulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-ol
• 英文别名: (6aR,8S,10aS)-10a-((4-Chlorophenyl)sulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-ol；(6aR,8S,10aS)-10a-(4-chlorophenyl)sulfonyl-1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-ol
• CAS: 944949-06-8
• 化学式: C₁₉H₁₇ClF₂O₄S
• 分子量: 414.857
• InChiKey: WTXUIYHQKGABGR-AGMRTUQYSA-N

物化性质

• 沸点：
  586.0±50.0 °C(Predicted)
• 密度：
  1.488±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (6AR,8S,10AS)-10A-((4-氯苯基)磺酰基)-1,4-二氟-图6A,7,8 在 全氟丁基磺酰氟 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 生成 10a-(4-chloro-benzenesulfonyl)-1,4,8-trifluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene
  参考文献：
  名称：

  WO2007/84595

  摘要：

  公开号：

文献信息

• Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors
  申请人：Asberom Theodros

  公开号：US20070197581A1

  公开（公告）日：2007-08-23

  This invention discloses novel gamma secretase inhibitors of the formula: R 2 and R 3 , or R 2 and R 4 , or R 3 and R 4 , together with the atoms to which they are bound, can form a fused cycloalkyl or fused heterocycloalkyl ring. The cycloalkyl ring or the heterocycloalkyl ring can be optionally substituted with one or more substitutents. One or more compounds of formula (I), or formulations comprising such compounds, may be useful, e.g. in treating Alzheimer's Disease.

  该发明揭示了新型伽马分泌酶抑制剂的公式：R2和R3，或R2和R4，或R3和R4，连同它们所结合的原子，可以形成融合的环烷基或融合的杂环烷基环。环烷基环或杂环烷基环可以选择性地被一个或多个取代基取代。公式（I）的一个或多个化合物，或包含这些化合物的制剂，可以用于治疗阿尔茨海默病等疾病。
• BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS
  申请人：Asberom Theodros

  公开号：US20120264736A1

  公开（公告）日：2012-10-18

  This invention discloses novel gamma secretase inhibitors of the formula: R 2 and R 3 , or R 2 and R 4 , or R 3 and R 4 , together with the atoms to which they are bound, can form a fused cycloalkyl or fused heterocycloalkyl ring. The cycloalkyl ring or the heterocycloalkyl ring can be optionally substituted with one or more substituents. One or more compounds of formula (I), or formulations comprising such compounds, may be useful, e.g. in treating Alzheimer's Disease.

  本发明公开了新的伽马分泌酶抑制剂的公式：R2和R3，或R2和R4，或R3和R4，以及它们结合的原子可以形成融合的环烷基或融合的杂环烷基环。环烷基环或杂环烷基环可以选择性地被一个或多个取代基取代。公式（I）中的一个或多个化合物，或包含这样的化合物的制剂，可能有用，例如在治疗阿尔茨海默病方面。
• Design and synthesis of tricyclic sulfones as γ-secretase inhibitors with greatly reduced Notch toxicity
  作者：Ruo Xu、David Cole、Ted Asberom、Tom Bara、Chad Bennett、Duane A. Burnett、John Clader、Martin Domalski、William Greenlee、Lynn Hyde、Hubert Josien、Hongmei Li、Mark McBriar、Brian McKittrick、Andrew T. McPhail、Dmitri Pissarnitski、Li Qiang、Murali Rajagopalan、Thavalakulamgar Sasikumar、Jing Su、Haiqun Tang、Wen-Lian Wu、Lili Zhang、Zhiqiang Zhao

  DOI：10.1016/j.bmcl.2010.02.080

  日期：2010.4

  A novel series of tricyclic gamma-secretase inhibitors was designed and synthesized via a conformational analysis of literature compounds. The preliminary results have shown that compounds in this new series have much improved in vitro potency and in vivo profiles. More importantly, they have greatly reduced Notch related toxicity that was associated with previous gamma-secretase inhibitors. (C) 2010 Elsevier Ltd. All rights reserved.
• CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1976843B1

  公开（公告）日：2013-09-04
• US8067621B2
  申请人：——

  公开号：US8067621B2

  公开（公告）日：2011-11-29