25-Methoxy-22,22-dioxo-3,22lambda6,30-trithia-6,15,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4(9),5,7,10,12,17(29),18,20,24,26-dodecaen-16-one | 1414454-48-0

• 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: 25-Methoxy-22,22-dioxo-3,22lambda6,30-trithia-6,15,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4(9),5,7,10,12,17(29),18,20,24,26-dodecaen-16-one
• 英文别名: 25-methoxy-22,22-dioxo-3,22λ6,30-trithia-6,15,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4(9),5,7,10,12,17(29),18,20,24,26-dodecaen-16-one
• CAS: 1414454-48-0
• 化学式: C₂₅H₁₈N₄O₄S₃
• 分子量: 534.64
• InChiKey: AYZXXVICBYFHST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  175
• 氢给体数：
  2
• 氢受体数：
  9

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.
• US9808466B2
  申请人：——

  公开号：US9808466B2

  公开（公告）日：2017-11-07