LDN-0096812 | 4935-93-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: LDN-0096812
• 英文别名: irigenol；5,6,7-trihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-one；5,6,7-Trihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-on；5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one
• CAS: 4935-93-7
• 化学式: C₁₅H₁₀O₈
• 分子量: 318.24
• InChiKey: DFURNQJNFBMYHM-UHFFFAOYSA-N

物化性质

• 熔点：
  330-330.5 °C
• 沸点：
  781.6±60.0 °C(Predicted)
• 密度：
  1.873±0.06 g/cm3(Predicted)
• 碰撞截面：
  166.5 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)：
  1.6
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  148
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  LDN-0096812 、 乙酸酐 在 吡啶 作用下， 生成 LDN-0096738
  参考文献：
  名称：

  HALEY; BASSIN, Journal of the American Pharmaceutical Association (1961), 1951, vol. 40, # 2, p. 111 - 112

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢碘酸 作用下， 生成 LDN-0096812
  参考文献：
  名称：

  Baker, Journal of the Chemical Society, 1928, p. 1029

  摘要：

  DOI：

文献信息

• Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism
  申请人：Lawrence Daniel A.

  公开号：US20100137194A1

  公开（公告）日：2010-06-03

  The invention relates to plasminogen activator-1 (PAI-1) inhibitor compounds and uses thereof in the treatment of any disease or condition associated with elevated PAI-1. The invention includes, but is not limited to, the use of such compounds to modulate lipid metabolism and treat conditions associated with elevated PAI-1, cholesterol, or lipid levels.

  本发明涉及纤溶酶原激活剂-1（PAI-1）抑制剂化合物及其在治疗任何与升高的PAI-1相关的疾病或病状中的应用。本发明包括但不限于使用这些化合物来调节脂质代谢并治疗与升高的PAI-1、胆固醇或脂质水平相关的病症。
• PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：US20160009748A1

  公开（公告）日：2016-01-14

  The invention relates to plasminogen activator-1 (PAI-1) inhibitor compounds and uses thereof in the treatment of any disease or condition associated with elevated PAI-1. The invention includes, but is not limited to, the use of such compounds to modulate lipid metabolism and treat conditions associated with elevated PAI-1, cholesterol, or lipid levels.

  本发明涉及纤溶酶原激活物-1（PAI-1）抑制剂化合物及其在治疗与升高的PAI-1相关的任何疾病或病况中的用途。本发明包括但不限于使用这样的化合物来调节脂质代谢并治疗与升高的PAI-1、胆固醇或脂质水平相关的病症。
• METHOD AND COMPOSITION FOR SKIN COLOR MODULATION
  申请人：Unilever PLC, A Company Registered in England and Wales under Company no. 41424

  公开号：EP2367522A2

  公开（公告）日：2011-09-28
• Method and Composition for Color Modulation
  申请人：Bajor John Steven

  公开号：US20100158829A1

  公开（公告）日：2010-06-24

  The invention is directed to a method and composition suitable for skin color modulation. Particularly, the action of D-dopachrome tautomerase on melanogenesis and/or the transfer of melanin from melanosomes in keratinocytes is reduced, thereby resulting in a change in skin color.
• Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase
  申请人：Yale University

  公开号：US20150272939A1

  公开（公告）日：2015-10-01

  The present invention includes a novel high-throughput screen capable of identifying compounds that inhibit JARID1B demethylase activity or JARID1A demethylase activity. The present invention further includes novel inhibitors of JARID1B demethylase activity and/or JARID1A demethylase activity, and methods using the same.