1-Ethyl-4-{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-piperazine | 364794-84-3

• 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-Ethyl-4-{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-piperazine
• 英文别名: 1-Ethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]piperazine
• CAS: 364794-84-3
• 化学式: C₂₀H₃₃BN₂O₂
• 分子量: 344.305
• InChiKey: CHMOBIKVKSFSDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 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-{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-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-methoxyanilino)-7-{4-[2-(4-ethyl-1-piperazinyl) ethyl]phenyl }-3-quinolinecarbonitrile
  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：

  4-碘苯乙酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 dimethyl sulfide borane 、 potassium acetate 、 2,4-滴二甲胺盐 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 1-Ethyl-4-{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-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

• 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.