26-Methoxy-24-methyl-23,23-dioxo-3,23lambda6-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one | 1414451-91-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 26-Methoxy-24-methyl-23,23-dioxo-3,23lambda6-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
• 英文别名: 26-methoxy-24-methyl-23,23-dioxo-3,23λ6-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
• CAS: 1414451-91-4
• 化学式: C₂₆H₂₀N₆O₄S₂
• 分子量: 544.615
• InChiKey: BWFRPXPKOGDETI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  38
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  164
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3⁶-methoxy-5-thia-4,8-diaza-2(4,6)-thieno[3,2-d]pyrimidina-1,3(3,5)-dipyridina-6(1,3)-benzenacyclononaphan-7-one 5,5-dioxide 、 碘甲烷 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以13%的产率得到26-Methoxy-24-methyl-23,23-dioxo-3,23lambda6-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
  参考文献：
  名称：

  [EN] MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
  [FR] NOUVEAUX COMPOSÉS

  摘要：

  公开号：

  WO2012156756A3

文献信息

• US20140256717A1
  申请人：——

  公开号：US20140256717A1

  公开（公告）日：2014-09-11
• MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：Fundación Centro Nacional de Investigaciones Oncologicas Carlos III

  公开号：US20160296528A1

  公开（公告）日：2016-10-13

  There is provided compounds of formula I, wherein R1, R 2a , R 2b , R 2c , X, Y, Z, R 3 and ring A/B have meanings given in the description, and pharmaceutically-acceptable esters, amides, solvates or salts thereof, which compounds are useful in the treatment of diseases in which inhibition of a protein or lipid kinase (e.g. PI3-K, particularly class I PI3K, PIM family kinase and/or mTOR) is desired and/or required, and particularly in the treatment of cancer. The invention also relates to combinations containing such compounds.
• US9284334B2
  申请人：——

  公开号：US9284334B2

  公开（公告）日：2016-03-15
• US9808466B2
  申请人：——

  公开号：US9808466B2

  公开（公告）日：2017-11-07
• [EN] NEW COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：CT NAC INVESTIGACIONES ONCOLOGICAS CNIO

  公开号：WO2012156756A2

  公开（公告）日：2012-11-22

  There is provided compounds of formula I, wherein R1, R2a, R2b, R2c, X, Y, Z, R3 and ring A/B have meanings given in the description, and pharmaceutically-acceptable esters, amides, solvates or salts thereof, which compounds are useful in the treatment of diseases in which inhibition of a protein or lipid kinase (e.g. PI3-K, particularly class I PI3K, PIM family kinase and/or mTOR) is desired and/or required, and particularly in the treatment of cancer. The invention also relates to combinations containing such compounds.