1-ethyl-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]piperazine | 364794-83-2

• 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-ethyl-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]piperazine
• 英文别名: 1-Ethyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine；1-ethyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
• CAS: 364794-83-2
• 化学式: C₁₉H₃₁BN₂O₂
• 分子量: 330.278
• InChiKey: CKEYOYMPVGYWCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  24.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-ethyl-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]piperazine 、 7-bromo-4-[(2,4-dichloro-5-methoxyphenyl)amino]-3-quinolinecarbonitrile 在 四(三苯基膦)钯 、 碳酸氢钠 作用下， 以 乙二醇二甲醚 为溶剂， 生成 4-(2,4-Dichloro-5-methoxy-phenylamino)-7-[4-(4-ethyl-piperazin-1-ylmethyl)-phenyl]-quinoline-3-carbonitrile
  参考文献：
  名称：

  Substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles as Src kinase inhibitors

  摘要：

  A series of substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles has been prepared as Src kinase inhibitors. Optimal activity is observed with compounds that have basic amines attached via the para position of the 7-phenyl ring, and a hydrogen atom at the C-6 position. The best compounds are low nanomolar inhibitors of Src kinase, and have potent activity against Src-transformed fibroblast cells. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00577-2
• 作为产物：
  描述：

  对溴苯甲醛 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 生成 1-ethyl-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]piperazine
  参考文献：
  名称：

  Substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles as Src kinase inhibitors

  摘要：

  A series of substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles has been prepared as Src kinase inhibitors. Optimal activity is observed with compounds that have basic amines attached via the para position of the 7-phenyl ring, and a hydrogen atom at the C-6 position. The best compounds are low nanomolar inhibitors of Src kinase, and have potent activity against Src-transformed fibroblast cells. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00577-2

文献信息

• 噻吩并嘧啶类衍生物、其制备方法及其在医药 上的应用
  申请人：上海创诺医药集团有限公司

  公开号：CN105418632B

  公开（公告）日：2020-02-21

  本发明提供了一类噻吩并嘧啶类衍生物、其制备方法及其在医药上的应用。具体地，本发明一种如式I所示的化合物，其中各基团的定义如说明书中所述。所述的化合物是一类有效的酪氨酸激酶抑制剂，特别适合用作EGFR和/或HER2抑制剂。
• Substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles as Src kinase inhibitors
  作者：Dan Berger、Minu Dutia、Dennis Powell、Allan Wissner、Frenel DeMorin、Yuri Raifeld、Jennifer Weber、Frank Boschelli

  DOI：10.1016/s0960-894x(02)00577-2

  日期：2002.10

  A series of substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles has been prepared as Src kinase inhibitors. Optimal activity is observed with compounds that have basic amines attached via the para position of the 7-phenyl ring, and a hydrogen atom at the C-6 position. The best compounds are low nanomolar inhibitors of Src kinase, and have potent activity against Src-transformed fibroblast cells. (C) 2002 Elsevier Science Ltd. All rights reserved.