2-chloro-4-nitrophenyl 2-isopropylphenyl sulfide

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-chloro-4-nitrophenyl 2-isopropylphenyl sulfide
• 英文别名: 2-Chloro-4-nitro-1-(2-propan-2-ylphenyl)sulfanylbenzene；2-chloro-4-nitro-1-(2-propan-2-ylphenyl)sulfanylbenzene
• 化学式: C₁₅H₁₄ClNO₂S
• 分子量: 307.801
• InChiKey: XAVIQTANLJGRLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-异丙基苯硫酚 、 3-氯-4-氟硝基苯 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 1.5h， 以48%的产率得到2-chloro-4-nitrophenyl 2-isopropylphenyl sulfide
  参考文献：
  名称：

  Modulation of cAMP-Specific PDE without Emetogenic Activity: New Sulfide-Like PDE7 Inhibitors

  摘要：

  A forward chemical genetic approach was followed to discover new targets and lead compounds for Parkinson's disease (PD) treatment. By analysis of the cell protection produced by some small molecules, a diphenyl sulfide compound was revealed to be a new phosphodiesterase 7 (PDE7) inhibitor and identified as a new hit. This result allows us to confirm the utility of PDE7 inhibitors as a potential pharmacological treatment of PD. On the basis of these data, a diverse family of diphenyl sulfides has been developed and pharmacologically evaluated in the present work. Moreover, to gain insight into the safety of PDE7 inhibitors for human chronic treatment, we evaluated the new compounds in a surrogate emesis model, showing nonemetic effects.

  DOI：

  10.1021/jm501090m

文献信息

• Modulation of cAMP-Specific PDE without Emetogenic Activity: New Sulfide-Like PDE7 Inhibitors
  作者：Ana M. García、José Brea、Jose A. Morales-García、Daniel I. Perez、Alejandro González、Sandra Alonso-Gil、Irene Gracia-Rubio、Clara Ros-Simó、Santiago Conde、María Isabel Cadavid、María Isabel Loza、Ana Perez-Castillo、Olga Valverde、Ana Martinez、Carmen Gil

  DOI：10.1021/jm501090m

  日期：2014.10.23

  A forward chemical genetic approach was followed to discover new targets and lead compounds for Parkinson's disease (PD) treatment. By analysis of the cell protection produced by some small molecules, a diphenyl sulfide compound was revealed to be a new phosphodiesterase 7 (PDE7) inhibitor and identified as a new hit. This result allows us to confirm the utility of PDE7 inhibitors as a potential pharmacological treatment of PD. On the basis of these data, a diverse family of diphenyl sulfides has been developed and pharmacologically evaluated in the present work. Moreover, to gain insight into the safety of PDE7 inhibitors for human chronic treatment, we evaluated the new compounds in a surrogate emesis model, showing nonemetic effects.