methyl 2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-6-phenyl-6H-pyrimido[5,4-c][2,1]benzothiazine-8-carboxylate 5,5-dioxide | 1418315-70-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: methyl 2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-6-phenyl-6H-pyrimido[5,4-c][2,1]benzothiazine-8-carboxylate 5,5-dioxide
• 英文别名: Methyl 2-[4-(4-methylpiperazin-1-yl)anilino]-5,5-dioxo-6-phenylpyrimido[5,4-c][2,1]benzothiazine-8-carboxylate；methyl 2-[4-(4-methylpiperazin-1-yl)anilino]-5,5-dioxo-6-phenylpyrimido[5,4-c][2,1]benzothiazine-8-carboxylate
• CAS: 1418315-70-4
• 化学式: C₂₉H₂₈N₆O₄S
• 分子量: 556.645
• InChiKey: XLPIRKCBFNYQNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  6-allyl-8-bromo-N-[4-(4-methylpiperazin-1-yl)phenyl]-6H-pyrimido[5,4-c][2,1]benzothiazin-2-amine 5,5-dioxide 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 copper diacetate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 40.0~100.0 ℃ 、413.7 kPa 条件下， 反应 16.0h， 生成 methyl 2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-6-phenyl-6H-pyrimido[5,4-c][2,1]benzothiazine-8-carboxylate 5,5-dioxide
  参考文献：
  名称：

  [EN] TRICYCLIC INHIBITORS OF KINASES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  [FR] INHIBITEURS TRICYCLIQUES DE KINASES UTILES POUR LE TRAITEMENT DES MALADIES PROLIFÉRATIVES

  摘要：

  本发明涉及式(I)的化合物或药用可接受的盐，其中R1、R2、R3、A、B和n在描述中有定义。本发明还涉及含有上述化合物的组合物，用于抑制wee-1等激酶以及治疗癌症等疾病的方法。

  公开号：

  WO2013012681A1

文献信息

• TRICYCLIC INHIBITORS OF KINASES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：Abbvie Inc.

  公开号：EP2731953A1

  公开（公告）日：2014-05-21
• 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.
• 5,6-DIPHENYL-5,6-DIHYDRO-DIBENZ[C,E][1,2]AZAPHOSPHORIN AND 6-PHENYL-6H-DIBENZO[C,E][1,2]THIAZIN-5,5-DIOXIDE DERIVATIVES AND SIMILAR COMPOUNDS AS ORGANIC ELECTROLUMINESCENT MATERIALS FOR OLEDS
  申请人：Merck Patent GmbH

  公开号：US20220020934A1

  公开（公告）日：2022-01-20

  The present invention relates to 5,6-diphenyl-5,6-dihydrodibenz[c,e][1,2]azaphosphorin and 6-phenyl-6H-dibenzo[c,e][1,2]thiazine 5,5-dioxide derivatives and similar compounds of the formula (1) as organic electroluminescent materials for use in organic electroluminescent devices, for example in organic light-emitting diodes (OLEDs), where the symbols used are as follows: Z is the same or different at each instance and is PAr 2 or S(═O); E is the same or different at each instance and is O or S when the symbol Z to which this E binds is PAr 2 , and O when the symbol Z to which this E binds is S(═O); L is selected from the group consisting of a single bond, NAr 2 , O, S, S(═O) 2 , P(═O)Ar 2 , —X═X— and —C(═O)—NAr 2 ; the rest of the symbols are defined in the claims. The present invention discloses synthesis examples of inventive compounds, productions of OLEDs containing these example compounds, and results for these electroluminescent devices.
• US8716297B2
  申请人：——

  公开号：US8716297B2

  公开（公告）日：2014-05-06
• [EN] TRICYCLIC INHIBITORS OF KINASES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES<br/>[FR] INHIBITEURS TRICYCLIQUES DE KINASES UTILES POUR LE TRAITEMENT DES MALADIES PROLIFÉRATIVES
  申请人：ABBOTT LAB

  公开号：WO2013012681A1

  公开（公告）日：2013-01-24

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein R1, R2, R3, 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.

  本发明涉及式(I)的化合物或药用可接受的盐，其中R1、R2、R3、A、B和n在描述中有定义。本发明还涉及含有上述化合物的组合物，用于抑制wee-1等激酶以及治疗癌症等疾病的方法。