2-cyano-2,3-dihydroplumbagin

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-cyano-2,3-dihydroplumbagin
• 英文别名: 5-hydroxy-2-methyl-1,4-dioxo-3H-naphthalene-2-carbonitrile
• 化学式: C₁₂H₉NO₃
• 分子量: 215.208
• InChiKey: RXYLZXSFODHUAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  兰雪醌 、 氰化钾 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以30%的产率得到2-cyano-2,3-dihydro-3,3'-biplumbagin
  参考文献：
  名称：

  Dinda, B.; Chel, G.; Saha, S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1994, vol. 33, # 5, p. 502 - 506

  摘要：

  DOI：

文献信息

• ANTI-CANCER LEAD MOLECULE
  申请人：KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY

  公开号：US20140107196A1

  公开（公告）日：2014-04-17

  Derivatives of plumbagin can be selectively cytotoxic to breast cancer cells. Derivative ‘A’ (Acetyl Plumbagin) has emerged as a lead molecule for testing against estrogen positive breast cancer and has shown low hepatotoxicity as well as overall lower toxicity in nude mice model. The toxicity of derivative ‘A’ was determined to be even lower than vehicle control (ALT and AST markers). The possible mechanism of action identified based on the microarray experiments and pathway mapping shows that derivative ‘A’ could be acting by altering the cholesterol-related mechanisms. The low toxicity profile of derivative ‘A’ highlights its possible role'as future anti-cancer drug and/or as an adjuvant drug to reduce the toxicity of highly toxic chemotherapeutic'drugs.
• US9890106B2
  申请人：——

  公开号：US9890106B2

  公开（公告）日：2018-02-13
• [EN] CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER<br/>[FR] INHIBITION DE PROTÉINE DE TRANSFERT D'ESTER DE CHOLESTÉRYLE (CETP) DANS LE TRAITEMENT DE CANCER
  申请人：KING ABDULLAH UNIV OF SCIENCE & TECH

  公开号：WO2016135633A1

  公开（公告）日：2016-09-01

  In one embodiment, the invention provides methods of treatment which use therapeutically effective amounts of Choleste ryl Ester Transfer Protein (CETP) inhibitors to treat a variety of cancers. In certain embodiments, the inhibitor is a CETP-inhibiting small molecule, CETP-inhibiting antisense oligonucleotide, CETP-inhibiting siRNA or a CETP- inhibiting antibody. Related pharmaceutical compositions, kits, diagnostics and screens are also provided.