2-[3-chloro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate | 15314-31-5

• 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: 2-[3-chloro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate
• CAS: 15314-31-5
• 化学式: C₂₄H₂₆ClNO₆S₂
• 分子量: 524.059
• InChiKey: KQSJHGGFMUGOIW-UHFFFAOYSA-N

物化性质

• 沸点：
  689.4±55.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[3-chloro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate 、 (S)-amino-3-<4-<2-(5-methyl-2-phenyloxazol-4-yl)ethoxy>phenyl>propionic acid methyl ester 在 六甲基磷酰三胺 、 碳酸氢钠 作用下， 生成
  参考文献：
  名称：

  (S)-3-(4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(piperazin-1-yl)propanoic acid compounds: Synthesis and biological evaluation of dual PPARα/γ agonists

  摘要：

  A series of novel, potent PPAR alpha/gamma dual agonists were synthesized and appraised. The most potent analogue, compound 2b demonstrated EC50 value of 0.012 +/- 0.002 and 0.032 +/- 0.01 mu M, respectively, for hPPAR alpha and hPPAR gamma in transactivation assay. Additionally, compound 2b demonstrated good glucose and lipid lowering effect in genetic diabetic (db/db) mice. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.071
• 作为产物：
  描述：

  N,N-双羟乙基间氯苯胺 、 对甲苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-[3-chloro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  (S)-3-(4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(piperazin-1-yl)propanoic acid compounds: Synthesis and biological evaluation of dual PPARα/γ agonists

  摘要：

  A series of novel, potent PPAR alpha/gamma dual agonists were synthesized and appraised. The most potent analogue, compound 2b demonstrated EC50 value of 0.012 +/- 0.002 and 0.032 +/- 0.01 mu M, respectively, for hPPAR alpha and hPPAR gamma in transactivation assay. Additionally, compound 2b demonstrated good glucose and lipid lowering effect in genetic diabetic (db/db) mice. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.071