3-[[2-[4-(2-Chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]pyrazine-2-carbonitrile | 944240-44-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[[2-[4-(2-Chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]pyrazine-2-carbonitrile
• CAS: 944240-44-2
• 化学式: C₁₈H₁₈ClN₅O₂
• 分子量: 371.826
• InChiKey: BYTIXRGZCSORTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  91.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-[[2-[4-(2-Chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]pyrazine-2-carbonitrile 在 DIABL-H 作用下， 生成 3-[[2-[4-(2-Chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]pyrazine-2-carbaldehyde
  参考文献：
  名称：

  Discovery of 1-(4-phenoxypiperidin-1-yl)-2-arylaminoethanone stearoyl-CoA desaturase 1 inhibitors

  摘要：

  A series of novel stearoyl-CoA desaturase 1 (SCD1) inhibitors were identified by scaffold design based on known SCD1 inhibitors. Large structural changes were made leading to multiple analogs with comparable or improved potency. This approach is valuable for generation of proprietary compounds without conducting a costly high-throughput screening. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.099
• 作为产物：
  描述：

  [2-(4-Hydroxy-piperidin-1-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester 在 N-甲基吡咯烷酮 、 盐酸 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 1,4-二氧六环 为溶剂， 生成 3-[[2-[4-(2-Chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]pyrazine-2-carbonitrile
  参考文献：
  名称：

  Discovery of 1-(4-phenoxypiperidin-1-yl)-2-arylaminoethanone stearoyl-CoA desaturase 1 inhibitors

  摘要：

  A series of novel stearoyl-CoA desaturase 1 (SCD1) inhibitors were identified by scaffold design based on known SCD1 inhibitors. Large structural changes were made leading to multiple analogs with comparable or improved potency. This approach is valuable for generation of proprietary compounds without conducting a costly high-throughput screening. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.099

文献信息

• Discovery of 1-(4-phenoxypiperidin-1-yl)-2-arylaminoethanone stearoyl-CoA desaturase 1 inhibitors
  作者：Hongyu Zhao、Michael D. Serby、Harriet T. Smith、Ning Cao、Tom S. Suhar、Teresa K. Surowy、Heidi S. Camp、Christine A. Collins、Hing L. Sham、Gang Liu

  DOI：10.1016/j.bmcl.2007.03.099

  日期：2007.6

  A series of novel stearoyl-CoA desaturase 1 (SCD1) inhibitors were identified by scaffold design based on known SCD1 inhibitors. Large structural changes were made leading to multiple analogs with comparable or improved potency. This approach is valuable for generation of proprietary compounds without conducting a costly high-throughput screening. (c) 2007 Elsevier Ltd. All rights reserved.