1-{4-[2-(benzhydrylidene-amino)-4-methyl-thiazol-5-yl]-phenyl}-ethanone | 941581-07-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-{4-[2-(benzhydrylidene-amino)-4-methyl-thiazol-5-yl]-phenyl}-ethanone
• 英文别名: 1-{4-[benzhydrylidene-amino]-4-methyl-thiazol-5-yl-phenyl}-ethanone；1-[4-[2-(benzhydrylideneamino)-4-methyl-1,3-thiazol-5-yl]phenyl]ethanone
• CAS: 941581-07-3
• 化学式: C₂₅H₂₀N₂OS
• 分子量: 396.513
• InChiKey: NRCVYCGTTAGUHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-{4-[2-(benzhydrylidene-amino)-4-methyl-thiazol-5-yl]-phenyl}-ethanone 在 盐酸 、 水 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 Imidazole-1-carboxylic acid [5-(4-acetyl-phenyl)-4-methyl-thiazol-2-yl]-amide
  参考文献：
  名称：

  Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathway

  摘要：

  Using a parallel synthesis approach to target a non-conserved region of the PI3K catalytic domain a pan-PI3K inhibitor 1 was elaborated to provide alpha, delta and gamma isoform selective Class I PI3K inhibitors 21, 24, 26 and 27. The compounds had good cellular activity and were selective against protein kinases and other members of the PI3K superfamily including mTOR and DNA-PK. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.042
• 作为产物：
  描述：

  二苯甲酮亚胺 在 四(三苯基膦)钯 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 、 甲苯 为溶剂， 反应 74.0h， 生成 1-{4-[2-(benzhydrylidene-amino)-4-methyl-thiazol-5-yl]-phenyl}-ethanone
  参考文献：
  名称：

  Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathway

  摘要：

  Using a parallel synthesis approach to target a non-conserved region of the PI3K catalytic domain a pan-PI3K inhibitor 1 was elaborated to provide alpha, delta and gamma isoform selective Class I PI3K inhibitors 21, 24, 26 and 27. The compounds had good cellular activity and were selective against protein kinases and other members of the PI3K superfamily including mTOR and DNA-PK. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.042

文献信息

• Organic Compounds
  申请人：Budd Emma

  公开号：US20080319033A1

  公开（公告）日：2008-12-25

  Compounds of formula I in free or salt form, wherein R 1 , R 2 , R 3 , R 4 and X have the meanings as indicated in the specification, are useful for treating diseases mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  式I中R1、R2、R3、R4和X的自由或盐形式化合物，其含义如规范所示，可用于治疗由磷脂酰肌醇3-激酶介导的疾病。还描述了含有这些化合物的药物组合物以及制备这些化合物的方法。
• Organic compounds
  申请人：Bruce Ian

  公开号：US20100120865A1

  公开（公告）日：2010-05-13

  The present invention concerns a compound of formula (I), or a pharmaceutically acceptable salt, or solvate thereof, wherein the groups Ri-Rs are defined in the description, to compositions and use of the compounds in the treatment of diseases ameloriated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及一种式（I）的化合物，或其药学上可接受的盐或溶剂，其中Ri-Rs基团在说明中定义，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组合物和用途。
• WO2008/421
  申请人：——

  公开号：——

  公开（公告）日：——
• THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS
  申请人：NOVARTIS AG

  公开号：EP2035413A2

  公开（公告）日：2009-03-18
• US7799810B2
  申请人：——

  公开号：US7799810B2

  公开（公告）日：2010-09-21