2,9-二氯喹吖啶酮 | 138098-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 2,9-二氯喹吖啶酮
• 中文别名: 2-(2-氯乙酰基氨基)-4-对甲苯噻吩-3-羧酸乙酯
• 英文名称: 2-(2-Chloro-acetylamino)-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester
• 英文别名: ethyl 2-[(2-chloroacetyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
• CAS: 138098-81-4
• 化学式: C₁₆H₁₆ClNO₃S
• mdl: MFCD00703887
• 分子量: 337.8
• InChiKey: UIIBJQATNJJSCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  517.1±50.0 °C(Predicted)
• 密度：
  1.302±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

文献信息

• REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF
  申请人：RATAN Rajiv

  公开号：US20130005666A1

  公开（公告）日：2013-01-03

  The NF-E2-related factor 2 (Nrf2) is a key transcriptional regulator of antioxidant defense and detoxification. To directly monitor stabilization of Nrf2 we fused its Neh2 domain, responsible for the interaction with its nucleocytoplasmic regulator, Keap1, to firefly luciferase (Neh2-luciferase). It is shown herein that Neh2 domain is sufficient for recognition, ubiquitination and proteasomal degradation of Neh2-luciferase fusion protein. The novel Neh2-luc reporter system allows direct monitoring of the adaptive response to redox stress and classification of drugs based on the time-course of reporter activation. The novel reporter was used to screen a library of compounds to identify activators of Nrf2. The most robust and yet non toxic Nrf2 activators found—nordihydroguaiaretic acid, fisetin, and gedunin-induced astrocyte-dependent neuroprotection from oxidative stress via an Nrf2-dependent mechanism.
• US9200046B2
  申请人：——

  公开号：US9200046B2

  公开（公告）日：2015-12-01