8-Chloro-5-hydroxy-2,7-dimethyl-2-[(E)-2-(1,2,6-trimethyl-3-oxo-cyclohexyl)-vinyl]-chroman-6-carbaldehyde | 38561-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 8-Chloro-5-hydroxy-2,7-dimethyl-2-[(E)-2-(1,2,6-trimethyl-3-oxo-cyclohexyl)-vinyl]-chroman-6-carbaldehyde
• 英文别名: 8-chloro-5-hydroxy-2,7-dimethyl-2-[(E)-2-(1,2,6-trimethyl-3-oxocyclohexyl)ethenyl]-3,4-dihydrochromene-6-carbaldehyde
• CAS: 38561-42-1
• 化学式: C₂₃H₂₉ClO₄
• 分子量: 404.934
• InChiKey: HZKVTEXIMCANFB-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• NOVEL LIGANDS OF NUCLEAR RECEPTOR
  申请人：Nuclear Receptor Research Limited

  公开号：EP1142870A1

  公开（公告）日：2001-10-10

  It has been newly found out that ascochlorin, which is a publicly known fat-soluble antibiotic, and its homologs serve as a ligand of retinoid X receptor and react in vivo with the amino group of serum protein to form Schiff bases without showing any side effect of retinoid. Ascochlorin and its homologs are usable in treating and/or preventing diseases or conditions which can be relieved by the retinoid X receptor ligand-dependent gene signal transcriptional regulation (for example, diseases caused by the expression of insulin resistance, hypertension, cerebrovascular diseases, rheumatoid arthritis, autoimmune diseases, Ca metabolic error, complication of diabetes, arteriosclerosis, etc.). Moreover, they can inhibit denaturation and/or necrosis of pancreatic Langerhans islet β-cells and, therefore, are usable in making these cells to sustain the insulin productivity.

  新近发现，ascochlorin（一种众所周知的脂溶性抗生素）及其同系物可作为视黄醇 X 受体的配体，在体内与血清蛋白的氨基反应形成希夫碱，而不会产生视黄醇的副作用。Ascochlorin 及其同系物可用于治疗和/或预防可通过视黄醇 X 受体配体依赖性基因信号转录调节缓解的疾病或病症（例如，由胰岛素抵抗、高血压、脑血管疾病、类风湿性关节炎、自身免疫性疾病、Ca 代谢紊乱、糖尿病并发症、动脉硬化等表达引起的疾病）。此外，它们还能抑制胰腺朗格汉斯胰岛β细胞变性和/或坏死，因此可用于制造这些细胞，以维持胰岛素的生产能力。
• US6605639B1
  申请人：——

  公开号：US6605639B1

  公开（公告）日：2003-08-12