13-Benzyl-14-hydroxy-3,10,13,16,23-pentazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(23),2,4,6,8,11(15),17,19,21-nonaen-12-one | 675108-80-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 13-Benzyl-14-hydroxy-3,10,13,16,23-pentazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(23),2,4,6,8,11(15),17,19,21-nonaen-12-one
• CAS: 675108-80-2
• 化学式: C₂₅H₁₇N₅O₂
• 分子量: 419.442
• InChiKey: CSELZGSGAUHNJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  76.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  13-Benzyl-14-hydroxy-3,10,13,16,23-pentazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(23),2,4,6,8,11(15),17,19,21-nonaen-12-one 在 硫酸 、 乙酸酐 、 TFA*anisole 作用下， 反应 41.83h， 生成 3,10,13,16,23-Pentaazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(23),2,4(9),5,7,11(15),17(22),18,20-nonaen-12-one
  参考文献：
  名称：

  Ruthenium Complexes as Protein Kinase Inhibitors

  摘要：

  Replacing complex natural products with simple metal complexes could lead to a new class of metallopharmaceuticals in which the metal center plays mainly a structural role. A strategy is introduced for the creation of ruthenium complex-based protein kinase inhibitors 1 (X = CO or CH2), morphed out of the class of indolocarbazole inhibitors with the alkaloid staurosporine as its most prominent member.

  DOI：

  10.1021/ol036283s
• 作为产物：
  描述：

  2-(1H-苯并咪唑-2-基)-1H-苯并咪唑 在 sodium tetrahydroborate 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.5h， 生成 13-Benzyl-14-hydroxy-3,10,13,16,23-pentazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(23),2,4,6,8,11(15),17,19,21-nonaen-12-one
  参考文献：
  名称：

  Ruthenium Complexes as Protein Kinase Inhibitors

  摘要：

  Replacing complex natural products with simple metal complexes could lead to a new class of metallopharmaceuticals in which the metal center plays mainly a structural role. A strategy is introduced for the creation of ruthenium complex-based protein kinase inhibitors 1 (X = CO or CH2), morphed out of the class of indolocarbazole inhibitors with the alkaloid staurosporine as its most prominent member.

  DOI：

  10.1021/ol036283s

文献信息

• Metal complex protein kinase inhibitors
  申请人：Meggers Eric

  公开号：US20050171076A1

  公开（公告）日：2005-08-04

  This inventive subject matter relates to novel metal complex protein kinases inhibitors, methods for making such compounds, and methods for using such compounds for treating diseases and disorders mediated by kinase activity.

  这项创新的主题涉及新型金属配合物蛋白激酶抑制剂，制造此类化合物的方法，以及使用这些化合物治疗由激酶活性介导的疾病和障碍的方法。
• US7488817B2
  申请人：——

  公开号：US7488817B2

  公开（公告）日：2009-02-10
• US7671046B2
  申请人：——

  公开号：US7671046B2

  公开（公告）日：2010-03-02
• Ruthenium Complexes as Protein Kinase Inhibitors
  作者：Lilu Zhang、Patrick Carroll、Eric Meggers

  DOI：10.1021/ol036283s

  日期：2004.2.1

  Replacing complex natural products with simple metal complexes could lead to a new class of metallopharmaceuticals in which the metal center plays mainly a structural role. A strategy is introduced for the creation of ruthenium complex-based protein kinase inhibitors 1 (X = CO or CH2), morphed out of the class of indolocarbazole inhibitors with the alkaloid staurosporine as its most prominent member.