4-cyclopropyl-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,3-c]pyridin-7-one | 1237605-46-7

• 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: 4-cyclopropyl-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,3-c]pyridin-7-one
• CAS: 1237605-46-7
• 化学式: C₁₇H₁₆F₃N₃O₃S
• 分子量: 399.394
• InChiKey: OFWZIXOHGWMONG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  91.5
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-cyclopropyl-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,3-c]pyridin-7-one 在 [双(2-甲氧基乙基)胺]三氟化硫 作用下， 生成 (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  Discovery of a novel sulfonamide-pyrazolopiperidine series as potent and efficacious γ-secretase inhibitors (Part II)

  摘要：

  Significant improvement in metabolic stability on the pyrazolopiperidine scaffold over the original series were achieved and this stability improvement translated in an improved in vivo efficacy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.148
• 作为产物：
  描述：

  以 乙醇 为溶剂， 反应 1.0h， 生成 4-cyclopropyl-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,3-c]pyridin-7-one
  参考文献：
  名称：

  Discovery of a novel sulfonamide-pyrazolopiperidine series as potent and efficacious γ-secretase inhibitors (Part II)

  摘要：

  Significant improvement in metabolic stability on the pyrazolopiperidine scaffold over the original series were achieved and this stability improvement translated in an improved in vivo efficacy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.148

文献信息

• Discovery of a novel sulfonamide-pyrazolopiperidine series as potent and efficacious γ-secretase inhibitors (Part II)
  作者：Xiaocong M. Ye、Andrei W. Konradi、Jenifer Smith、Danielle L. Aubele、Albert W. Garofalo、Jennifer Marugg、Marty L. Neitzel、Chris M. Semko、Hing L. Sham、Minghua Sun、Anh P. Truong、Jing Wu、Hongbin Zhang、Erich Goldbach、John-Michael Sauer、Elizabeth F. Brigham、Michael Bova、Guriqbal S. Basi

  DOI：10.1016/j.bmcl.2010.04.148

  日期：2010.6

  Significant improvement in metabolic stability on the pyrazolopiperidine scaffold over the original series were achieved and this stability improvement translated in an improved in vivo efficacy. (C) 2010 Elsevier Ltd. All rights reserved.