8-tert-butyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-ylamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 8-tert-butyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-ylamine
• 英文别名: 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine
• 化学式: C₁₃H₁₆N₄S
• 分子量: 260.363
• InChiKey: VXHDOTJPWUMPFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  92.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-tert-butyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-ylamine 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 (S)-pyrrolidine-1,2-dicarboxylic acid 2-amide 1-[(8-tert-butyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-yl)amide]
  参考文献：
  名称：

  Identification and optimisation of 4,5-dihydrobenzo[1,2-d:3,4-d]bisthiazole and 4,5-dihydrothiazolo[4,5-h]quinazoline series of selective phosphatidylinositol-3 kinase alpha inhibitors

  摘要：

  A cyclisation within a 4',5-bisthiazole (S)-proline-amide-urea series of selective PI3K alpha inhibitors led to a novel 4,5-dihydrobenzo[1,2-d: 3,4-d] bisthiazole tricyclic sub-series. The synthesis and optimisation of this 4,5-dihydrobenzo[1,2-d: 3,4-d] bisthiazole sub-series and the expansion to a related tricyclic 4,5-dihydrothiazolo[4,5-h] quinazoline sub-series are described. From this work analogues including 11, 12, 19 and 23 were identified as potent and selective PI3K alpha inhibitor in vivo tool compounds. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.06.067
• 作为产物：
  描述：

  2,2-二甲基丙脒 在 吡啶 、 盐酸 、 水 作用下， 以 乙醇 为溶剂， 反应 19.0h， 生成 8-tert-butyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-ylamine
  参考文献：
  名称：

  Identification and optimisation of 4,5-dihydrobenzo[1,2-d:3,4-d]bisthiazole and 4,5-dihydrothiazolo[4,5-h]quinazoline series of selective phosphatidylinositol-3 kinase alpha inhibitors

  摘要：

  A cyclisation within a 4',5-bisthiazole (S)-proline-amide-urea series of selective PI3K alpha inhibitors led to a novel 4,5-dihydrobenzo[1,2-d: 3,4-d] bisthiazole tricyclic sub-series. The synthesis and optimisation of this 4,5-dihydrobenzo[1,2-d: 3,4-d] bisthiazole sub-series and the expansion to a related tricyclic 4,5-dihydrothiazolo[4,5-h] quinazoline sub-series are described. From this work analogues including 11, 12, 19 and 23 were identified as potent and selective PI3K alpha inhibitor in vivo tool compounds. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.06.067

文献信息

• THIAZOLYL-DIHYDRO-CHINAZOLINE
  申请人：Brandl Trixi

  公开号：US20070238746A1

  公开（公告）日：2007-10-11

  Disclosed are compounds of general formula (I), wherein the groups A, R 1 , R 2 , R a and R b have the meanings given in the claims and specification, the tautomers, racemates, enantiomers, diastereomers and the mixtures thereof, and optionally the pharmacologically acceptable acid addition salts, solvates and hydrates thereof, and processes for preparing these thiazolyl-dihydro-quinazolines and the use thereof as pharmaceutical compositions.

  揭示了一般式(I)的化合物， 其中，基团A，R1，R2，Ra和Rb具有权利要求和说明中给定的含义，其互变异构体，拉克酸盐，对映体，非对映体和它们的混合物，以及可选择的药理学上可接受的酸加盐，溶剂合物和水合物，以及制备这些噻唑基-二氢喹唑啉并将其用作药物组合物的方法。
• 2-Carboxamide Cycloamino Ureas
  申请人：FAIRHURST Robin Alec

  公开号：US20110003786A1

  公开（公告）日：2011-01-06

  The present invention relates to compounds of formula I and salts thereof, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameloriated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及公式I的化合物及其盐，其中取代基如描述中所定义，以及该化合物在治疗通过抑制磷脂酰肌醇3-激酶改善的疾病中的应用。
• 2-carboxamide cycloamino ureas
  申请人：Fairhurst Robin Alec

  公开号：US08357707B2

  公开（公告）日：2013-01-22

  The present invention relates to compounds of formula I and salts thereof, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameliorated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及公式I的化合物及其盐，其中取代基如描述中所定义，以及该化合物在治疗通过磷脂酰肌醇3-激酶抑制改善的疾病中的组合物和用途。
• 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS
  申请人：Novartis AG

  公开号：EP2448946A1

  公开（公告）日：2012-05-09
• US8354418B2
  申请人：——

  公开号：US8354418B2

  公开（公告）日：2013-01-15