7-deacetoxy-7-oxokhivorin | 15004-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 7-deacetoxy-7-oxokhivorin
• 英文别名: [(1R,2R,4S,7S,8S,12S,13S,15R)-13-acetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,19-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate
• CAS: 15004-51-0
• 化学式: C₃₀H₃₈O₉
• 分子量: 542.626
• InChiKey: IKFXPERBVFYFMS-DPILJLKXSA-N

物化性质

• 碰撞截面：
  217.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  7-deacetoxy-7-oxokhivorin 在 双氧水 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Kehrli, Anne R. H.; Taylor, David A. H., Journal of the Chemical Society. Perkin transactions I, 1990, # 7, p. 2067 - 2070

  摘要：

  DOI：

文献信息

• KEHRLI, ANNE R. H.;TAYLOR, DAVID A. H., J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 2067-2070
  作者：KEHRLI, ANNE R. H.、TAYLOR, DAVID A. H.

  DOI：——

  日期：——
• Compositions and methods for neuroprotectin
  申请人：Steiner P. Joseph

  公开号：US20080090897A1

  公开（公告）日：2008-04-17

  Disclosed herein are neuroprotective compounds. Methods for the preparation of such compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the compounds disclosed, alone or in combination with other therapeutic agents, for the treatment of neurodegenerative conditions are provided.
• Role of limonoid compounds as neuroprotective agents
  申请人：Steiner Joseph P.

  公开号：US20100056617A1

  公开（公告）日：2010-03-04

  Disclosed herein are neuroprotective compounds. Methods for the preparation of such compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the compounds disclosed, alone or in combination with other therapeutic agents, for the treatment of neurodegenerative conditions are provided.
• 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.
• US9289412B2
  申请人：——

  公开号：US9289412B2

  公开（公告）日：2016-03-22