1,1,1-trifluoro-2-(5-methoxymethoxy-pyridin-2-yl)-propan-2-ol | 1260504-83-3

• 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: 1,1,1-trifluoro-2-(5-methoxymethoxy-pyridin-2-yl)-propan-2-ol
• 英文别名: 1,1,1-trifluoro-2-[5-(methoxymethoxy)pyridin-2-yl]propan-2-ol
• CAS: 1260504-83-3
• 化学式: C₁₀H₁₂F₃NO₃
• 分子量: 251.205
• InChiKey: IQRFXPHWYAJLBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,1,1-trifluoro-2-(5-methoxymethoxy-pyridin-2-yl)-propan-2-ol 在 盐酸 、 1,2-二溴四氯乙烷 、 叔丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 N-(4-(((4-bromo-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-yl)oxy)methyl)thiazol-2-yl)acetamide
  参考文献：
  名称：

  Discovery of a novel tricyclic 4H-thiazolo[5′,4′:4,5]pyrano[2,3-c]pyridine-2-amino scaffold and its application in a PI3Kα inhibitor with high PI3K isoform selectivity and potent cellular activity

  摘要：

  A novel, previously undescribed 4H-thiazolo[5',4':4,5]pyrano[2,3-c]pyridine tricyclic scaffold has been discovered. The application of this novel chemotype leading to a potent and selective prototype PI3K alpha inhibitor with favorable physicochemical and PK-properties is described. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.06.077
• 作为产物：
  描述：

  2-乙酰基-5-羟基吡啶 在 盐酸 、 水 、 sodium acetate 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 1,1,1-trifluoro-2-(5-methoxymethoxy-pyridin-2-yl)-propan-2-ol
  参考文献：
  名称：

  Discovery of a novel tricyclic 4H-thiazolo[5′,4′:4,5]pyrano[2,3-c]pyridine-2-amino scaffold and its application in a PI3Kα inhibitor with high PI3K isoform selectivity and potent cellular activity

  摘要：

  A novel, previously undescribed 4H-thiazolo[5',4':4,5]pyrano[2,3-c]pyridine tricyclic scaffold has been discovered. The application of this novel chemotype leading to a potent and selective prototype PI3K alpha inhibitor with favorable physicochemical and PK-properties is described. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.06.077

文献信息

• 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：EP2448946B1

  公开（公告）日：2013-07-24
• US8357707B2
  申请人：——

  公开号：US8357707B2

  公开（公告）日：2013-01-22
• Discovery of a novel tricyclic 4H-thiazolo[5′,4′:4,5]pyrano[2,3-c]pyridine-2-amino scaffold and its application in a PI3Kα inhibitor with high PI3K isoform selectivity and potent cellular activity
  作者：Marc Gerspacher、Robin A. Fairhurst、Robert Mah、Esther Roehn-Carnemolla、Pascal Furet、Christine Fritsch、Daniel A. Guthy

  DOI：10.1016/j.bmcl.2015.06.077

  日期：2015.9

  A novel, previously undescribed 4H-thiazolo[5',4':4,5]pyrano[2,3-c]pyridine tricyclic scaffold has been discovered. The application of this novel chemotype leading to a potent and selective prototype PI3K alpha inhibitor with favorable physicochemical and PK-properties is described. (C) 2015 Elsevier Ltd. All rights reserved.