1-(4-Chlorosulfonyl-phenyl)-cyclopropanecarboxylic acid ethyl ester | 1144518-02-4

• 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: 1-(4-Chlorosulfonyl-phenyl)-cyclopropanecarboxylic acid ethyl ester
• 英文别名: ethyl 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate
• CAS: 1144518-02-4
• 化学式: C₁₂H₁₃ClO₄S
• 分子量: 288.752
• InChiKey: NMGPGASVASGOBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3R)-3-methyl-1-(2-pyridin-4-ylethyl)piperazine 、 1-(4-Chlorosulfonyl-phenyl)-cyclopropanecarboxylic acid ethyl ester 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到
  参考文献：
  名称：

  Synthesis and optimization of arylsulfonylpiperazines as a novel class of inhibitors of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1)

  摘要：

  The synthesis and SAR of a series of arylsulfonylpiperazine inhibitors of 11 beta-HSD1 are described. Optimization rapidly led to potent, selective, and orally bioavailable inhibitors demonstrating efficacy in a cynomolgus monkey ex vivo enzyme inhibition model. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.114

文献信息

• Synthesis and optimization of arylsulfonylpiperazines as a novel class of inhibitors of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1)
  作者：Daqing Sun、Zhulun Wang、Mario Cardozo、Rebekah Choi、Michael DeGraffenreid、Yongmei Di、Xiao He、Juan C. Jaen、Marc Labelle、Jinsong Liu、Ji Ma、Shichang Miao、Athena Sudom、Liang Tang、Hua Tu、Stefania Ursu、Nigel Walker、Xuelei Yan、Qiuping Ye、Jay P. Powers

  DOI：10.1016/j.bmcl.2008.12.114

  日期：2009.3

  The synthesis and SAR of a series of arylsulfonylpiperazine inhibitors of 11 beta-HSD1 are described. Optimization rapidly led to potent, selective, and orally bioavailable inhibitors demonstrating efficacy in a cynomolgus monkey ex vivo enzyme inhibition model. (C) 2009 Elsevier Ltd. All rights reserved.