4-(2-吗啉代乙氧基)苯基硼酸 | 279262-19-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(2-吗啉代乙氧基)苯基硼酸
• 英文名称: 4-(2-morpholinoethoxy)phenylboronic acid
• 英文别名: [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid
• CAS: 279262-19-0
• 化学式: C₁₂H₁₈BNO₄
• 分子量: 251.09
• InChiKey: RCUWZKVTDDDVET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.92
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-[6-iodo-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(tetrahydrofuran-2-ylmethyl)amine 、 4-(2-吗啉代乙氧基)苯基硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 、 lithium chloride 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 生成 {6-[4-(2-morpholin-ethoxy)-phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-(tetrahydro-furan-2-ylmethyl)-amine
  参考文献：
  名称：

  Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors

  摘要：

  Two classes of ACK1 inhibitors, 4,5,6-trisubstituted furo[2,3-d]pyrimidin4-amines and 4,5,6-trisubstituted 7H-pyrrolo[2,3-d]pyrimidin-4-amines, were discovered and evaluated as ACK1 inhibitors. Further structural refinement led to the identification of potent and selective dithiolane inhibitor 37. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.08.020

文献信息

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  DOI：10.1016/j.bmcl.2021.127983

  日期：2021.6

  stability in human and most nonhuman liver microsomes as well as a lack of hERG K + channel or CYP enzyme inhibition. Moreover, the straightforward synthesis of several lead compounds (e.g., the simple high yield 3-step synthesis of imidazo[1,2-a]pyridine 37) could provide a cost-effective broad-spectrum arenavirus therapeutic that may help to minimize the cost-prohibitive burdens associated with treatments

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  DOI：10.1016/j.ejmech.2023.116101

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  作者：Vibha Oza、Susan Ashwell、Patrick Brassil、Jason Breed、Chun Deng、Jay Ezhuthachan、Heather Haye、Candice Horn、James Janetka、Paul Lyne、Nicholas Newcombe、Ludo Otterbien、Martin Pass、Jon Read、Sian Roswell、Mei Su、Dorin Toader、Dingwei Yu、Yan Yu、Anna Valentine、Peter Webborn、Ann White、Sonya Zabludoff、Xiaolan Zheng

  DOI：10.1016/j.bmcl.2010.07.015

  日期：2010.9

  Checkpoint Kinase-1 (Chk1, CHK1, CHEK1) is a Ser/Thr protein kinase that mediates cellular responses to DNA-damage. A novel class of Chk1 inhibitors, triazoloquinolones/triazolones (TZ's) was identified by high throughput screening. The optimization of these hits to provide a lead series is described.