3,6-Dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione | 117620-88-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 角环素
• 英文名称: 3,6-Dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
• 英文别名: 8-O-Methylrabelomycin；3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
• CAS: 117620-88-9
• 化学式: C₂₀H₁₆O₆
• 分子量: 352.343
• InChiKey: LQIPGPPZCXJWKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-Acetyl-4-hydroxy-5-methoxy-2-(2-oxo-propyl)-anthraquinone 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 以88%的产率得到3,6-Dihydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
  参考文献：
  名称：

  安古环素的合成。8.仿生型合成雷贝霉素，四环霉素和相关的环B芳族古环素。

  摘要：

  通过从取代的萘醌12a-c开始的两个连续的醛醇环化以仿生型合成制备具有芳香环B（1a-c和2a-c）的蒽环酮。在两个环化步骤中，潜在亲核中心的CH酸度决定了动力学控制条件下环化的模式。在用过量的NMO处理后，四氢蒽醌13a-c / 14a-c在C-4处羟基化为酚类蒽醌16a-c。

  DOI：

  10.1021/jo9622587

文献信息

• MYCOBACTERIUM MEMBRANE PROTEASE AS A TARGET FOR INHIBITORS OF INTRABACTERIAL pH HOMEOSTASIS
  申请人：Nathan Carl

  公开号：US20110190234A1

  公开（公告）日：2011-08-04

  The present invention is directed to methods and compounds for inhibiting bacterial growth and treating a bacterial infection in a subject. These methods involve providing an inhibitor of intrabacterial pH homeostasis, including inhibitors of the Mycobacterium tuberculosis Rv3671c gene encoded membrane protease. Methods for identifying novel compounds that disrupt intrabacterial pH homeostasis and their use for inhibiting bacterial growth and treating a bacterial infection in a subject are also disclosed.
• METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER
  申请人：Haggerty Timothy J.

  公开号：US20140335050A1

  公开（公告）日：2014-11-13

  The invention features methods, compositions, and kits for the administration of an HSP90 inhibitor, OBAA, flunarizine, aphidicolin, damnacanthal, dantrolene, or an analog thereof, alone, or in combination with, e.g., a TAA, an antigen-binding scaffold (e.g., an antibody, a soluble T cell receptor, or a chimeric receptor) specific for a TAA, a cell (e.g., a white blood cell that targets a cancer cell), and/or an IFN-β receptor agonist or an IFN-γ receptor agonist, for the treatment of cancer.
• US8951992B2
  申请人：——

  公开号：US8951992B2

  公开（公告）日：2015-02-10