(3-Propan-2-yloxyphenyl)-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]methanone | 958948-25-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-Propan-2-yloxyphenyl)-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]methanone
• 英文别名: (3-propan-2-yloxyphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
• CAS: 958948-25-9
• 化学式: C₂₂H₃₁N₃O₂
• 分子量: 369.507
• InChiKey: SBSKQOIYKJFAJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-BOC-哌啶-3-羧酸 在 sodium cyanoborohydride 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 10.0h， 生成 (3-Propan-2-yloxyphenyl)-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]methanone
  参考文献：
  名称：

  Identification of small-molecule inhibitors of Trypansoma cruzi replication

  摘要：

  We report the outcome of a high-throughput small-molecule screen to identify novel, nontoxic, inhibitors of Trypansoma cruzi, as potential starting points for therapeutics to treat for both the acute and chronic stages of Chagas disease. Two compounds were identified that displayed nanomolar inhibition of T. cruzi and an absence of activity against host cells at the highest tested dose. These compounds have been registered with NIH Molecular Libraries Program (probes ML157 and ML158). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.057

文献信息

• Identification of small-molecule inhibitors of Trypansoma cruzi replication
  作者：Andrew R. Germain、Leigh C. Carmody、Chris Dockendorff、Cristina Galan-Rodriguez、Ana Rodriguez、Stephen Johnston、Joshua A. Bittker、Lawrence MacPherson、Sivaraman Dandapani、Michelle Palmer、Stuart L. Schreiber、Benito Munoz

  DOI：10.1016/j.bmcl.2011.09.057

  日期：2011.12

  We report the outcome of a high-throughput small-molecule screen to identify novel, nontoxic, inhibitors of Trypansoma cruzi, as potential starting points for therapeutics to treat for both the acute and chronic stages of Chagas disease. Two compounds were identified that displayed nanomolar inhibition of T. cruzi and an absence of activity against host cells at the highest tested dose. These compounds have been registered with NIH Molecular Libraries Program (probes ML157 and ML158). (C) 2011 Elsevier Ltd. All rights reserved.