tert-butyl 4-(2-iodoethyl)piperazine-1-carboxylate | 1345012-35-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(2-iodoethyl)piperazine-1-carboxylate
• 英文别名: Tert-butyl 4-(2-iodoethyl)piperazine-1-carboxylate
• CAS: 1345012-35-2
• 化学式: C₁₁H₂₁IN₂O₂
• 分子量: 340.204
• InChiKey: AQGAOJKJODXASH-UHFFFAOYSA-N

物化性质

• 沸点：
  347.9±37.0 °C(Predicted)
• 密度：
  1.465±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2-iodoethyl)piperazine-1-carboxylate 在 sodium hydride 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 、 mineral oil 为溶剂， 反应 5.0h， 生成 (5-chloro-1H-indol-2-yl)(4-(2-((4-methoxybenzyl)(pyridin-2-yl)amino)ethyl)piperazin-1-yl)methanone
  参考文献：
  名称：

  Mepyramine–JNJ7777120-hybrid compounds show high affinity to hH1R, but low affinity to hH4R

  摘要：

  In literature, a synergism between histamine H-1 and H-4 receptor is discussed. Furthermore, it was shown, that the combined application of mepyramine, a H-1 antagonist and JNJ7777120, a H-4 receptor ligand leads to a synergistic effect in the acute murine asthma model. Thus, the aim of this study was to develop new hybrid ligands, containing one H-1 and one H-4 pharmacophor, connected by an appropriate spacer, in order to address both, H1R and H4R. Within this study, we synthesized nine hybrid compounds, which were pharmacologically characterized at hH(1)R and hH(4)R. The new compounds revealed (high) affinity to hH(1)R, but showed only low affinity to hH(4)R. Additionally, we performed molecular dynamic studies for some selected compounds at hH(1)R, in order to obtain information about the binding mode of these compounds on molecular level. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.001
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 碘 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 21.0h， 生成 tert-butyl 4-(2-iodoethyl)piperazine-1-carboxylate
  参考文献：
  名称：

  Mepyramine–JNJ7777120-hybrid compounds show high affinity to hH1R, but low affinity to hH4R

  摘要：

  In literature, a synergism between histamine H-1 and H-4 receptor is discussed. Furthermore, it was shown, that the combined application of mepyramine, a H-1 antagonist and JNJ7777120, a H-4 receptor ligand leads to a synergistic effect in the acute murine asthma model. Thus, the aim of this study was to develop new hybrid ligands, containing one H-1 and one H-4 pharmacophor, connected by an appropriate spacer, in order to address both, H1R and H4R. Within this study, we synthesized nine hybrid compounds, which were pharmacologically characterized at hH(1)R and hH(4)R. The new compounds revealed (high) affinity to hH(1)R, but showed only low affinity to hH(4)R. Additionally, we performed molecular dynamic studies for some selected compounds at hH(1)R, in order to obtain information about the binding mode of these compounds on molecular level. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.001

文献信息

• [EN] QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLONE UTILISÉS EN TANT QU'INHIBITEURS DU RÉCEPTEUR DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：PRINCIPIA BIOPHARMA INC

  公开号：WO2015120049A1

  公开（公告）日：2015-08-13

  Compounds that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公开了作为成纤维细胞生长因子抑制剂（FGFR）的化合物，因此可用于治疗可以通过抑制FGFR治疗的疾病。还公开了含有此类化合物的药物组合物以及制备此类化合物的过程。
• QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS
  申请人：Principia Biopharma, Inc.

  公开号：US20160200725A1

  公开（公告）日：2016-07-14

  Compounds that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明公开了一种纤维母细胞生长因子抑制剂（FGFR），因此对于通过抑制FGFR可治疗的疾病具有用处的化合物。同时还公开了包含这种化合物的制药组合物以及制备这种化合物的方法。
• Quinolone derivatives as fibroblast growth factor receptor inhibitors
  申请人：Principia Biopharma, Inc.

  公开号：US10294223B2

  公开（公告）日：2019-05-21

  Compounds that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明公开了成纤维细胞生长因子抑制剂（FGFR），因此可用于治疗可通过抑制 FGFR 治疗的疾病的化合物。还公开了含有此类化合物的药物组合物和制备此类化合物的工艺。
• ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH
  申请人：Osteoqc Inc.

  公开号：EP2968284B1

  公开（公告）日：2021-04-21
• Quinolone Derivatives as Fibroblast Growth Factor Inhibitors
  申请人：Principia Biopharma Inc.

  公开号：US20210292323A1

  公开（公告）日：2021-09-23

  Compounds that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.