Tert-Butyl 2-[4-[[[2-[(2,4-dichlorophenyl)amino]-2-oxoethyl]cyclohexylamino]-methyl]-2-methylphenoxy]-2-methylpropanoate | 518337-16-1

• 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: Tert-Butyl 2-[4-[[[2-[(2,4-dichlorophenyl)amino]-2-oxoethyl]cyclohexylamino]-methyl]-2-methylphenoxy]-2-methylpropanoate
• 英文别名: tert-butyl 2-[4-[[cyclohexyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoate
• CAS: 518337-16-1
• 化学式: C₃₀H₄₀Cl₂N₂O₄
• 分子量: 563.565
• InChiKey: IZPIZGPUNAWQGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Tert-Butyl 2-[4-[[[2-[(2,4-dichlorophenyl)amino]-2-oxoethyl]cyclohexylamino]-methyl]-2-methylphenoxy]-2-methylpropanoate 在 dimethyl sulfide borane 作用下， 以 甲苯 为溶剂， 以55%的产率得到Tert-butyl 2-[4-[[cyclohexyl-[2-(2,4-dichloroanilino)ethyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoate
  参考文献：
  名称：

  Minor structural modifications convert a selective PPARα agonist into a potent, highly selective PPARδ agonist

  摘要：

  We report the solid-phase synthesis and pharmacological evaluation of a new series of small-molecule agonists of the human peroxisome proliferator-activated receptor delta (PPAR delta) based on a lead structure from our PPAR alpha program. Compound 33 showed good pharmacokinetics. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.023
• 作为产物：
  描述：

  2,4-二氯苯胺 在 硫酸 作用下， 以 二氯甲烷 为溶剂， 生成 Tert-Butyl 2-[4-[[[2-[(2,4-dichlorophenyl)amino]-2-oxoethyl]cyclohexylamino]-methyl]-2-methylphenoxy]-2-methylpropanoate
  参考文献：
  名称：

  Minor structural modifications convert a selective PPARα agonist into a potent, highly selective PPARδ agonist

  摘要：

  We report the solid-phase synthesis and pharmacological evaluation of a new series of small-molecule agonists of the human peroxisome proliferator-activated receptor delta (PPAR delta) based on a lead structure from our PPAR alpha program. Compound 33 showed good pharmacokinetics. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.023

文献信息

• Acetic acid derivatives
  申请人：Bischoff Hilmar

  公开号：US20050154061A1

  公开（公告）日：2005-07-14

  The present invention relates to novel substituted acetic acid derivatives, to processes for their preparation and to their use in medicaments, in particular as potent PPAR-delta-activating compounds for the prophylaxis and/or treatment of cardiovascular disorders, in particular dyslipidaemias and coronary heart diseases.

  本发明涉及新型取代乙酸衍生物，其制备方法以及它们在药物中的应用，特别是作为强效PPAR-delta激活化合物，用于预防和/或治疗心血管疾病，特别是脂质代谢异常和冠心病。
• Minor structural modifications convert a selective PPARα agonist into a potent, highly selective PPARδ agonist
  作者：Stefan Weigand、Hilmar Bischoff、Elke Dittrich-Wengenroth、Heike Heckroth、Dieter Lang、Andrea Vaupel、Michael Woltering

  DOI：10.1016/j.bmcl.2005.06.023

  日期：2005.10

  We report the solid-phase synthesis and pharmacological evaluation of a new series of small-molecule agonists of the human peroxisome proliferator-activated receptor delta (PPAR delta) based on a lead structure from our PPAR alpha program. Compound 33 showed good pharmacokinetics. (c) 2005 Elsevier Ltd. All rights reserved.