1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-piperidin-4-ylurea | 494861-63-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-piperidin-4-ylurea
• CAS: 494861-63-1
• 化学式: C₁₃H₂₆N₄O₃S
• 分子量: 318.44
• InChiKey: ONAVUXZOVCUINT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  90.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-piperidin-4-ylurea 、 3,4-二氯苯硼酸 在 copper diacetate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-[1-(3,4-Dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
  参考文献：
  名称：

  Discovery of novel orally active ureido NPY Y5 receptor antagonists

  摘要：

  We have derived a novel series of neuropeptide Y (NPY) Y5 receptor antagonists from the biphenylurea 3. Cyclohexylurea 21c, a member of the series, is a potent NPY Y5 receptor antagonist that exhibits excellent pharmacokinetic parameters in rats and dogs. On chronic oral administration to diet-induced obese rats, 21c displayed an anti-obesity profile, causing a modest reduction in food intake, a significant decrease in body weight gain, a decrease in adipose mass, and an increase in lean tissue mass. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.132
• 作为产物：
  描述：

  Tert-butyl 4-[[methyl-(1-methylsulfonylpiperidin-4-yl)carbamoyl]amino]piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 以88%的产率得到1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-piperidin-4-ylurea
  参考文献：
  名称：

  Discovery of novel orally active ureido NPY Y5 receptor antagonists

  摘要：

  We have derived a novel series of neuropeptide Y (NPY) Y5 receptor antagonists from the biphenylurea 3. Cyclohexylurea 21c, a member of the series, is a potent NPY Y5 receptor antagonist that exhibits excellent pharmacokinetic parameters in rats and dogs. On chronic oral administration to diet-induced obese rats, 21c displayed an anti-obesity profile, causing a modest reduction in food intake, a significant decrease in body weight gain, a decrease in adipose mass, and an increase in lean tissue mass. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.132

文献信息

• US7304076B2
  申请人：——

  公开号：US7304076B2

  公开（公告）日：2007-12-04
• Discovery of novel orally active ureido NPY Y5 receptor antagonists
  作者：Guoqing Li、Andrew W. Stamford、Ying Huang、Kuo-Chi Cheng、John Cook、Constance Farley、Jun Gao、Lorraine Ghibaudi、William J. Greenlee、Mario Guzzi、Margaret van Heek、Joyce J. Hwa、Joe Kelly、Deborra Mullins、Eric M. Parker、Sam Wainhaus、Xiaoping Zhang

  DOI：10.1016/j.bmcl.2007.11.132

  日期：2008.2

  We have derived a novel series of neuropeptide Y (NPY) Y5 receptor antagonists from the biphenylurea 3. Cyclohexylurea 21c, a member of the series, is a potent NPY Y5 receptor antagonist that exhibits excellent pharmacokinetic parameters in rats and dogs. On chronic oral administration to diet-induced obese rats, 21c displayed an anti-obesity profile, causing a modest reduction in food intake, a significant decrease in body weight gain, a decrease in adipose mass, and an increase in lean tissue mass. (C) 2007 Elsevier Ltd. All rights reserved.