N-[4-(4-chloro-2-nitrophenylthio)phenyl]acetamide | 107521-72-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-[4-(4-chloro-2-nitrophenylthio)phenyl]acetamide
• 英文别名: acetic acid-[4-(4-chloro-2-nitro-phenylsulfanyl)-anilide]；Essigsaeure-[4-(4-chlor-2-nitro-phenylmercapto)-anilid]；N-[4-(4-chloro-2-nitrophenyl)sulfanylphenyl]acetamide
• CAS: 107521-72-2
• 化学式: C₁₄H₁₁ClN₂O₃S
• 分子量: 322.772
• InChiKey: JFSVXDAZVFEAHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,5-二氯硝基苯 在 caesium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 0.46h， 生成 N-[4-(4-chloro-2-nitrophenylthio)phenyl]acetamide
  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

• Saikachi; Yoshina, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1957, vol. 77, p. 1169,1172
  作者：Saikachi、Yoshina

  DOI：——

  日期：——
• 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.