6-allyl-N-(2'-methyl-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl)-6H-pyrimido[5,4-c][2,1]benzothiazin-2-amine 5,5-dioxide | 1418315-10-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 6-allyl-N-(2'-methyl-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl)-6H-pyrimido[5,4-c][2,1]benzothiazin-2-amine 5,5-dioxide
• 英文别名: N-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine
• CAS: 1418315-10-2
• 化学式: C₂₅H₂₅N₅O₂S
• 分子量: 459.572
• InChiKey: GLCYEIRYWNECAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  86.8
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• New Chemical Entities To Be Used For Wee1 Inhibition For The Treatment Of Cancer
  申请人：Woods Keith W.

  公开号：US20130018045A1

  公开（公告）日：2013-01-17

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein R 1 , R 2 , R 3 , A, B, and n are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as wee-1 and methods of treating diseases such as cancer.
• US8716297B2
  申请人：——

  公开号：US8716297B2

  公开（公告）日：2014-05-06