1-(3-iodophenyl)but-3-en-2-one | 1000771-07-2

• 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-(3-iodophenyl)but-3-en-2-one
• CAS: 1000771-07-2
• 化学式: C₁₀H₉IO
• 分子量: 272.085
• InChiKey: DSGAKKWZPBJYED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(3-iodophenyl)but-3-en-2-one 、 methyl 4-(2-(5-oxopyrazolidin-1-yl)ethyl)benzoate 以 乙醇 为溶剂， 反应 2.0h， 生成
  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：

  2-(3-iodophenyl)-N-methoxy-N-methylacetamide 、 乙烯基溴化镁 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 1-(3-iodophenyl)but-3-en-2-one
  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

• NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND
  申请人：Asahi Kasei Pharma Corporation

  公开号：US20200347046A1

  公开（公告）日：2020-11-05

  A novel compound represented by the following general formula (1), or a salt thereof, which has a superior EP 4 receptor agonist activity, and a medicament containing the compound or a salt thereof as an active ingredient, which can be used for promotion of osteogenesis, therapeutic treatment and/or promotion of healing of fracture and the like.

  以下通用公式（1）所代表的新化合物，或其盐，具有优越的EP4受体激动剂活性，以及含有该化合物或其盐作为活性成分的药物，可用于促进骨生成、治疗和/或促进骨折愈合等用途。
• NITROGEN-CONTAINING SIX-MEMBERED RING COMPOUND
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP3733665A1

  公开（公告）日：2020-11-04

  A novel compound represented by the following general formula (1), or a salt thereof, which has a superior EP4 receptor agonist activity, and a medicament containing the compound or a salt thereof as an active ingredient, which can be used for promotion of osteogenesis, therapeutic treatment and/or promotion of healing of fracture and the like.

  一种由下式通式（1）代表的新型化合物或其盐，具有优异的 EP4 受体激动剂活性，以及一种以该化合物或其盐为活性成分的药物，可用于促进骨生成、治疗和/或促进骨折愈合等。
• Nitrogen-containing 6-membered cyclic compound
  申请人：Asahi Kasei Pharma Corporation

  公开号：US10988468B2

  公开（公告）日：2021-04-27

  A novel compound represented by the following general formula (1), or a salt thereof, which has a superior EP4 receptor agonist activity, and a medicament containing the compound or a salt thereof as an active ingredient, which can be used for promotion of osteogenesis, therapeutic treatment and/or promotion of healing of fracture and the like.

  一种由下式通式（1）代表的新型化合物或其盐，具有优异的 EP4 受体激动剂活性，以及一种以该化合物或其盐为活性成分的药物，可用于促进骨生成、治疗和/或促进骨折愈合等。