Methyl 4-[2-[2-(3-hydroxy-5-methylhexyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate | 518346-26-4

• 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: Methyl 4-[2-[2-(3-hydroxy-5-methylhexyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate
• CAS: 518346-26-4
• 化学式: C₂₀H₃₀N₂O₄
• 分子量: 362.469
• InChiKey: NCLDGMWHWMMIGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 4-[2-[2-(3-hydroxy-5-methylhexyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 18.0h， 生成 4-(2-(2-(3-Hydroxy-5-methylhexyl)-5-oxopyrazolidin-1-yl)ethyl)benzoic acid
  参考文献：
  名称：

  Synthesis and evaluation of novel pyrazolidinone analogs of PGE2 as EP2 and EP4 receptors agonists

  摘要：

  Replacement of the hydroxy cyclopentanone ring in PGE(2) with chemically more stable heterocyclic rings and substitution of the unsaturated alpha-alkenyl chain with a metabolically more stable phenethyl chain led to the development of potent and selective analogs of PGE(2). Compound 10f showed the highest potency and selectivity for EP4 the receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.074
• 作为产物：
  描述：

  Methyl 4-[2-[2-(5-methyl-3-oxohexyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate 在 sodium tetrahydroborate 、 cerium(III) chloride 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 Methyl 4-[2-[2-(3-hydroxy-5-methylhexyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate
  参考文献：
  名称：

  Synthesis and evaluation of novel pyrazolidinone analogs of PGE2 as EP2 and EP4 receptors agonists

  摘要：

  Replacement of the hydroxy cyclopentanone ring in PGE(2) with chemically more stable heterocyclic rings and substitution of the unsaturated alpha-alkenyl chain with a metabolically more stable phenethyl chain led to the development of potent and selective analogs of PGE(2). Compound 10f showed the highest potency and selectivity for EP4 the receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.074

文献信息

• Pyrazolidinone compounds as ligands of the prostaglandin ep2 and/or ep4 receptors
  申请人：——

  公开号：US20040254233A1

  公开（公告）日：2004-12-16

  The invention provides substituted pyrazolidinone compounds, and methods of treatment and pharmaceutical compositions that utilize or comprise one or more such compounds. Compounds of the invention are useful for a variety of therapies, including treating or preventing preterm labor, dysmenorrhea, asthma, hypertension, infertility or fertility disorder, undesired blood clotting, preeclampsia or eclampsia, an eosinophil disorder, sexual dysfunction, osteporosis and other destructive bone disease or disorder, and other diseases and disorders associated with the prostaglandin EP2 and/or EP4 receptors.

  本发明提供了取代吡唑啉酮化合物，以及利用或包含一个或多个这样的化合物的治疗方法和制药组合物。本发明的化合物对于各种疗法都有用，包括治疗或预防早产、痛经、哮喘、高血压、不孕或生育障碍、不良血栓形成、先兆子痫或子痫、嗜酸性粒细胞异常、性功能障碍、骨质疏松症和其他破坏性骨疾病或疾病，以及与前列腺素EP2和/或EP4受体相关的其他疾病和疾病。
• PYRAZALIDINONE COMPOUNDS AS LIGANDS OF THE PROSTAGLANDIN EP2 AND/OR EP4 RECEPTORS
  申请人：ARALDI Gian Luca

  公开号：US20080234346A1

  公开（公告）日：2008-09-25

  The invention provides substituted pyrazolidinone compounds, and methods of treatment and pharmaceutical compositions that utilize or comprise one or more such compounds. Compounds of the invention are useful for a variety of therapies, including treating or preventing preterm labor, dysmenorrhea, asthma, hypertension, infertility or fertility disorder, undesired blood clotting, preeclampsia or eclampsia, an eosinophil disorder, sexual dysfunction, osteporosis and other destructive bone disease or disorder, and other diseases and disorders associated with the prostaglandin EP2 and/or EP4 receptors.

  本发明提供了取代吡唑烷酮化合物，以及利用或包含一种或多种这样的化合物的治疗方法和药物组合物。本发明的化合物可用于多种治疗，包括治疗或预防早产、痛经、哮喘、高血压、不孕或生育障碍、不良血凝、先兆子痫或子痫、嗜酸性粒细胞异常、性功能障碍、骨质疏松症和其他与前列腺素EP2和/或EP4受体相关的疾病和障碍。
• PYRAZOLIDINONE COMPOUNDS AS LIGANDS OF THE PROSTAGLANDIN EP2 AND/OR EP4 RECEPTORS
  申请人：Laboratoires Serono SA

  公开号：EP1439837B1

  公开（公告）日：2008-04-09
• US7410991B2
  申请人：——

  公开号：US7410991B2

  公开（公告）日：2008-08-12
• US7863312B2
  申请人：——

  公开号：US7863312B2

  公开（公告）日：2011-01-04