6-allyl-N-(2 3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl)-6H-pyrido[2,3-c]pyrimido[4,5-e][1,2]thiazin-2-amine 5,5-dioxide | 1418315-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-allyl-N-(2 3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl)-6H-pyrido[2,3-c]pyrimido[4,5-e][1,2]thiazin-2-amine 5,5-dioxide
• 英文别名: 8,8-dioxo-9-prop-2-enyl-N-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-yl-8lambda6-thia-3,5,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine；8,8-dioxo-9-prop-2-enyl-N-spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-yl-8λ6-thia-3,5,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine
• CAS: 1418315-36-2
• 化学式: C₂₃H₂₂N₆O₂S
• 分子量: 446.533
• InChiKey: VIIFIBMZIKHLSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  8

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