(3-Chloropropyl)(3-nitrophenyl)sulfane | 1251951-62-8

• 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: (3-Chloropropyl)(3-nitrophenyl)sulfane
• 英文别名: 1-(3-chloropropylsulfanyl)-3-nitrobenzene
• CAS: 1251951-62-8
• 化学式: C₉H₁₀ClNO₂S
• 分子量: 231.703
• InChiKey: LUFUFHKNRJXGAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-Chloropropyl)(3-nitrophenyl)sulfane 在 Raney-Ni 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以77%的产率得到3-(3-Chloropropylsulfanyl)aniline
  参考文献：
  名称：

  Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N′-diaryl urea inhibitors of soluble epoxide hydrolase

  摘要：

  The impact of various secondary and tertiary pharmacophores on in vitro potency of soluble epoxide hydrolase (sEH) inhibitors based on the unsymmetrical urea scaffold 1 is discussed. N,N'-Diaryl urea inhibitors of soluble epoxide hydrolase exhibit subtle variations in inhibitory potency depending on the secondary pharmacophore but tolerate considerable structural variation in the second linker/tertiary pharmacophore fragment. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.074
• 作为产物：
  描述：

  3-硝基苯硫酚 、 1-溴-3-氯丙烷 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以71%的产率得到(3-Chloropropyl)(3-nitrophenyl)sulfane
  参考文献：
  名称：

  Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N′-diaryl urea inhibitors of soluble epoxide hydrolase

  摘要：

  The impact of various secondary and tertiary pharmacophores on in vitro potency of soluble epoxide hydrolase (sEH) inhibitors based on the unsymmetrical urea scaffold 1 is discussed. N,N'-Diaryl urea inhibitors of soluble epoxide hydrolase exhibit subtle variations in inhibitory potency depending on the secondary pharmacophore but tolerate considerable structural variation in the second linker/tertiary pharmacophore fragment. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.074

文献信息

• HETEROCYCLYL COMPOUNDS
  申请人：LUPIN LIMITED

  公开号：US20150299186A1

  公开（公告）日：2015-10-22

  The present invention is related to heteroaryl compounds as MEK inhibitors. The invention includes heteroaryl compounds of formula I, their tautomers and pharmaceutically acceptable salts, combinations with suitable medicament and pharmaceutical compositions thereof. The present invention also includes process of preparation of the said compounds and intended use in therapy of them.

  本发明涉及杂环芳基化合物作为MEK抑制剂。该发明包括式I的杂环芳基化合物，它们的互变异构体和药学上可接受的盐，与适当药物的组合和其制药组合物。本发明还包括所述化合物的制备过程和在治疗中的预期用途。
• US9573944B2
  申请人：——

  公开号：US9573944B2

  公开（公告）日：2017-02-21
• US9827247B2
  申请人：——

  公开号：US9827247B2

  公开（公告）日：2017-11-28
• [EN] HETEROCYCLYL COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLYLE
  申请人：LUPIN LTD

  公开号：WO2013136254A1

  公开（公告）日：2013-09-19

  The present invention is related to heteroaryl comounds as MEK inhibitors. The invention includes heteroaryl compounds of formula I, their tautomers and pharmaceutically acceptable salts, combinations with suitable medicament and pharmaceutical compositions thereof. The present invention also includes process of preparation of the said compounds and intended use in therapy of them. (Formula I) (I)
• Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N′-diaryl urea inhibitors of soluble epoxide hydrolase
  作者：Sampath-Kumar Anandan、Richard D. Gless

  DOI：10.1016/j.bmcl.2010.03.074

  日期：2010.5

  The impact of various secondary and tertiary pharmacophores on in vitro potency of soluble epoxide hydrolase (sEH) inhibitors based on the unsymmetrical urea scaffold 1 is discussed. N,N'-Diaryl urea inhibitors of soluble epoxide hydrolase exhibit subtle variations in inhibitory potency depending on the secondary pharmacophore but tolerate considerable structural variation in the second linker/tertiary pharmacophore fragment. (C) 2010 Elsevier Ltd. All rights reserved.