(1S,4R)-7,7-dimethyl-1-({[(3R)-3-methyl-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-one | 943238-10-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1S,4R)-7,7-dimethyl-1-({[(3R)-3-methyl-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-one
• CAS: 943238-10-6
• 化学式: C₁₅H₂₆N₂O₃S
• 分子量: 314.449
• InChiKey: XWDDNTWIRCOHAC-LALPHHSUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  66.48
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (1S,4R)-7,7-dimethyl-1-({[(3R)-3-methyl-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-one 、 alkaline earth salt of/the/ methylsulfuric acid 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 (1S,4R)-1-[({(3R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-1-piperazinyl}sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
  参考文献：
  名称：

  Camphor sulfonamide derivatives as novel, potent and selective CXCR3 antagonists

  摘要：

  A series of N-arylpiperazine camphor sulfonamides was discovered as novel CXCR3 antagonists. The synthesis, structure-activity relationships, and optimization of the initial hit that resulted in the identification of potent and selective CXCR3 antagonists are described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.008
• 作为产物：
  描述：

  右旋樟脑-10-磺酰氯 、 (R)-(-)-2-甲基哌嗪 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (1S,4R)-7,7-dimethyl-1-({[(3R)-3-methyl-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-one
  参考文献：
  名称：

  Camphor sulfonamide derivatives as novel, potent and selective CXCR3 antagonists

  摘要：

  A series of N-arylpiperazine camphor sulfonamides was discovered as novel CXCR3 antagonists. The synthesis, structure-activity relationships, and optimization of the initial hit that resulted in the identification of potent and selective CXCR3 antagonists are described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.008

文献信息

• WO2007/76318
  申请人：——

  公开号：——

  公开（公告）日：——