(E)-3,3'-(1,2-dimethyl-1,2-ethenediyl)bis[2-[(dimethylamino)methyl]phenol] | 1229392-16-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-3,3'-(1,2-dimethyl-1,2-ethenediyl)bis[2-[(dimethylamino)methyl]phenol]
• 英文别名: 2-[(dimethylamino)methyl]-5-[(E)-3-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]but-2-en-2-yl]phenol
• CAS: 1229392-16-8
• 化学式: C₂₂H₃₀N₂O₂
• 分子量: 354.492
• InChiKey: FFZOGVQOOYMVTF-FOCLMDBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2,3-bis(3-hydroxyphenyl)-2-butene 、 二甲胺 以 甲醇 为溶剂， 反应 8.0h， 生成 (Z)-3,3'-(1,2-dimethyl-1,2-ethenediyl)bis[2-[(dimethylamino)methyl]phenol] 、 (E)-3,3'-(1,2-dimethyl-1,2-ethenediyl)bis[2-[(dimethylamino)methyl]phenol]
  参考文献：
  名称：

  Identification of novel SAR properties of the Jak2 small molecule inhibitor G6: Significance of the para-hydroxyl orientation

  摘要：

  In this study, we analyzed the structure-activity relationship properties of the small molecule Jak2 inhibitor G6. We synthesized a set of derivatives containing the native para-hydroxyl structure or an alternative meta-hydroxyl structure and examined their Jak2 inhibitory properties. We found that the para-hydroxyl derivative known as NB15 had excellent Jak2 inhibitory properties in silico, in vitro, and ex vivo when compared with meta-hydroxyl derivatives. These results indicate that NB15 is a potent derivative of the Jak2 inhibitor G6, and that maintaining the para-hydroxyl orientation of G6 is critical for its Jak2 inhibitory potential. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.042

文献信息

• KINASE INHIBITOR COMPOUNDS
  申请人：University of Florida Research Foundation, Inc.

  公开号：EP2376425A2

  公开（公告）日：2011-10-19
• VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS
  申请人：University of Florida Research Foundation

  公开号：US20140248634A1

  公开（公告）日：2014-09-04

  The disclosure relates to novel compounds that are capable of modulating Jak2 kinase activities, compounds that have therapeutic use in treating or preventing a subject suffering from or susceptible to a Jak2 mediated disease or disorder, and methods of use and compositions thereof.
• [EN] KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE KINASE
  申请人：UNIV FLORIDA

  公开号：WO2010068710A2

  公开（公告）日：2010-06-17

  The disclosure relates to novel compounds that are capable of modulating Jak2 kinase activities, compounds that have therapeutic use in treating or preventing a subject suffering from or susceptible to a Jak2 mediated disease or disorder, and methods of use and compositions thereof.
• [EN] VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS<br/>[FR] UTILISATION DE LA VIMENTINE COMME BIOMARQUEUR DE L'ÉVOLUTION DES NÉOPLASMES MYÉLOPROLIFÉRATIFS
  申请人：UNIV FLORIDA

  公开号：WO2013019655A2

  公开（公告）日：2013-02-07

  The disclosure relates to novel compounds that are capable of modulating Jak2 kinase activities, compounds that have therapeutic use in treating or preventing a subject suffering from or susceptible to a Jak2 mediated disease or disorder, and methods of use and compositions thereof.
• Identification of novel SAR properties of the Jak2 small molecule inhibitor G6: Significance of the para-hydroxyl orientation
  作者：Rebekah Baskin、Meghanath Gali、Sung O. Park、Zhizhuang Joe Zhao、György M. Keserű、Kirpal S. Bisht、Peter P. Sayeski

  DOI：10.1016/j.bmcl.2011.12.042

  日期：2012.2

  In this study, we analyzed the structure-activity relationship properties of the small molecule Jak2 inhibitor G6. We synthesized a set of derivatives containing the native para-hydroxyl structure or an alternative meta-hydroxyl structure and examined their Jak2 inhibitory properties. We found that the para-hydroxyl derivative known as NB15 had excellent Jak2 inhibitory properties in silico, in vitro, and ex vivo when compared with meta-hydroxyl derivatives. These results indicate that NB15 is a potent derivative of the Jak2 inhibitor G6, and that maintaining the para-hydroxyl orientation of G6 is critical for its Jak2 inhibitory potential. (C) 2011 Elsevier Ltd. All rights reserved.