| 1198398-16-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1198398-16-1
• 化学式: C₂₅H₃₀ClNO₄SSi
• 分子量: 504.122
• InChiKey: XJLRANNHGJGIGM-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  75.63
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-diazo-1-(3,5-difluoro-phenyl)-ethanone 、 在 indium(III) triflate 作用下， 生成
  参考文献：
  名称：

  Novel orally active morpholine N-arylsulfonamides γ-secretase inhibitors with low CYP 3A4 liability

  摘要：

  A new class of 2,6-disubstituted morpholine N-arylsulfonamide gamma-secretase inhibitors was designed based on the introduction of a morpholine core in lieu or piperidine in our lead series. This resulted in compounds with improved CYP 3A4 profiles. Several analogs that were active at lowering Ab levels in Tg CRND8 mice upon oral administration were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.055
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 生成
  参考文献：
  名称：

  Novel orally active morpholine N-arylsulfonamides γ-secretase inhibitors with low CYP 3A4 liability

  摘要：

  A new class of 2,6-disubstituted morpholine N-arylsulfonamide gamma-secretase inhibitors was designed based on the introduction of a morpholine core in lieu or piperidine in our lead series. This resulted in compounds with improved CYP 3A4 profiles. Several analogs that were active at lowering Ab levels in Tg CRND8 mice upon oral administration were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.055