2-amino-N-(7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yloxy)-8-methyl-2-oxo-2H-chromen-3-yl)benzamide | 1016950-20-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-amino-N-(7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yloxy)-8-methyl-2-oxo-2H-chromen-3-yl)benzamide
• 英文别名: 2-amino-N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]benzamide
• CAS: 1016950-20-1
• 化学式: C₂₅H₂₈N₂O₈
• 分子量: 484.506
• InChiKey: YRVOGHAJRKHBDX-YWQGAKJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  150
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,3-双(甲氧基甲氧基)苯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 钯 盐酸 、 碘 作用下， 以 四氢呋喃 、 甲醇 、 水 、 甲苯 为溶剂， 生成 2-amino-N-(7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yloxy)-8-methyl-2-oxo-2H-chromen-3-yl)benzamide
  参考文献：
  名称：

  NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE

  摘要：

  新比奴霉素类似物在治疗、抑制和/或预防自体显性多囊肾病（ADPKD）中的囊肿形成方法中是有用的。本公开提供了治疗ADPKD的方法，包括给予香豆素-3-羧酰胺新比奴霉素类似物的治疗有效量。因此，该方法可以包括给予新比奴霉素类似物的治疗有效量，以降低mTOR途径磷酸化蛋白P-mTOR、P-Akt和P-S6K的水平，或其组合。此外，该方法可以包括给予新比奴霉素类似物的治疗有效量，以降低Hsp-90客体蛋白CFTR、ErbB2、c-Raf和Cdk4的水平，或其组合。

  公开号：

  US20110082098A1

文献信息

• Heat shock protein 90 inhibitor dosing methods
  申请人：Rajewski Roger A.

  公开号：US20100022635A1

  公开（公告）日：2010-01-28

  The disclosure provides novel dosing regimens for Hsp90 inhibitors for use in the treatment or prevention of a neurodegenerative disorder, an autoimmune disorder, or cancer. The methods involve administering one or more doses of a therapeutically effective amount of at least one Hsp90 inhibitor to a subject in need thereof such that no more than a single dose is administered within a period of about 7 days.

  该披露提供了新型的Hsp90抑制剂用于治疗或预防神经退行性疾病、自身免疫疾病或癌症的剂量方案。该方法涉及向需要治疗的受试者施用至少一种Hsp90抑制剂的治疗有效剂量的一个或多个剂量，以使在大约7天的时间内不会施用超过单一剂量。
• NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES
  申请人：Blagg Brian S. J.

  公开号：US20120252745A1

  公开（公告）日：2012-10-04

  The disclosure provides novobiocin analogues with noviose replacements which are useful as Hsp90 inhibitors in the treatment of cancer.

  本公开提供了具有替代noviose的诺维菌素类似物，其在癌症治疗中作为Hsp90抑制剂是有用的。
• Novobiocin Analogues Having Modified Sugar Moieties
  申请人：Blagg Brian

  公开号：US20090163709A1

  公开（公告）日：2009-06-25

  Novobiocin analogues useful as Hsp90 inhibitors in the treatment of cancer, neuroprotection, and autoimmune disorders.

  诺伐霉素类似物在癌症、神经保护和自身免疫性疾病的治疗中作为Hsp90抑制剂有用。
• Novobiocin Analogues
  申请人：Blagg Brian

  公开号：US20090187014A1

  公开（公告）日：2009-07-23

  Novobiocin analogues and pharmaceutical composition containing such compounds useful for the treatment and/or prevention of neurodegenerative disorders and autoimmune disorders, as well as cancer.

  Novobiocin类似物和含有这些化合物的药物组合物，可用于治疗和/或预防神经退行性疾病、自身免疫性疾病以及癌症。
• Development of Novobiocin Analogues That Manifest Anti-proliferative Activity against Several Cancer Cell Lines
  作者：Joseph A. Burlison、Christopher Avila、George Vielhauer、Donna J. Lubbers、Jeffrey Holzbeierlein、Brian S. J. Blagg

  DOI：10.1021/jo702191a

  日期：2008.3.1

  Recent studies have shown that the DNA gyrase inhibitor, novobiocin, binds to a previously unrecognized ATP-binding site located at the C-terminus of Hsp90 and induces degradation of Hsp90-dependent client proteins at similar to 700 mu M. As a result of these studies, several analogues of the coumarin family of antibiotics have been reported and shown to exhibit increased Hsp90 inhibitory activity; however, the monomeric species lacked the ability to manifest anti-proliferative activity against cancer cell lines at concentrations tested. In an effort to develop more efficacious compounds that produce growth inhibitory activity against cancer cell lines, structure-activity relationships; were investigated surrounding the prenylated benzamide side chain of the natural product. Results obtained from these studies have produced the first novobiocin analogues that manifest anti-proliferative activity against several cancer cell lines.