methyl-8-hydroxy-3-methoxy-1-propylanthraquinone-2-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: methyl-8-hydroxy-3-methoxy-1-propylanthraquinone-2-carboxylate
• 英文别名: Methyl 8-hydroxy-3-methoxy-9,10-dioxo-1-propylanthracene-2-carboxylate
• 化学式: C₂₀H₁₈O₆
• 分子量: 354.359
• InChiKey: MKNWYQQIGIZGKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  重氮甲烷 、 K1115A 在 四甲基硅烷 作用下， 以 甲醇 、 苯 为溶剂， 反应 1.0h， 生成 methyl-8-hydroxy-3-methoxy-1-propylanthraquinone-2-carboxylate
  参考文献：
  名称：

  K1115 A, a New Anthraquinone that Inhibits the Binding of Activator Protein-1(AP-1) to its Recognition Sites. II. Taxonomy, Fermentation, Isolation, Physico-chemical Properties and Structure Determination.

  摘要：

  从放线菌菌株 Mer-K1115 的发酵液中分离出一种新的活化蛋白-1（AP-1）作用抑制剂，命名为 K1115 A。根据光谱分析、衍生实验和 13C 富集乙酸的生物合成研究，K1115 A 被确定为一种新的蒽醌，即 3，8-二羟基-1-丙基蒽醌-2-羧酸。此外，还分离和鉴定了两种共生化合物 K1115 B1 和 B2，它们是萘霉素和脱落霉素类的新成员。

  DOI：

  10.7164/antibiotics.51.545

文献信息

• 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.
• K1115 A, a New Anthraquinone that Inhibits the Binding of Activator Protein-1(AP-1) to its Recognition Sites. II. Taxonomy, Fermentation, Isolation, Physico-chemical Properties and Structure Determination.
  作者：NOBUAKI NARUSE、MASAKI GOTO、YOSHIO WATANABE、TADASHI TERASAWA、KAZUYUKI DOBASHI

  DOI：10.7164/antibiotics.51.545

  日期：——

  A new inhibitor of the action of activator protein-1 (AP-1), designated K1115 A, was isolated from the fermentation broth of an actinomycete strain Mer-K1115. K1115 A was determined to be a new anthraquinone, 3, 8-dihydroxy-1-propylanthraquinone-2-carboxylic acid, based on spectroscopic analysis, derivatization experiments and biosynthetic studies with 13C-enriched acetic acid. Two co-produced compounds, K1115 B1 and B2, were also isolated and characterized as new members of the naphthopyranomycin and exfoliamycin group.

  从放线菌菌株 Mer-K1115 的发酵液中分离出一种新的活化蛋白-1（AP-1）作用抑制剂，命名为 K1115 A。根据光谱分析、衍生实验和 13C 富集乙酸的生物合成研究，K1115 A 被确定为一种新的蒽醌，即 3，8-二羟基-1-丙基蒽醌-2-羧酸。此外，还分离和鉴定了两种共生化合物 K1115 B1 和 B2，它们是萘霉素和脱落霉素类的新成员。