tert-butyl 4-(3-((2,4-dinitrophenyl)amino)propyl)piperazine-1-carboxylate

• 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: tert-butyl 4-(3-((2,4-dinitrophenyl)amino)propyl)piperazine-1-carboxylate
• 英文别名: Tert-butyl 4-[3-(2,4-dinitroanilino)propyl]piperazine-1-carboxylate
• 化学式: C₁₈H₂₇N₅O₆
• 分子量: 409.442
• InChiKey: UUMDAZSNTFKBLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  136
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(3-((2,4-dinitrophenyl)amino)propyl)piperazine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以81%的产率得到2,4-dinitro-N-(3-(piperazin-1-yl)propyl)aniline hydrochloride
  参考文献：
  名称：

  [EN] NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES
  [FR] MOLÉCULES HÉTÉROBIVALENTES NON PEPTIDIQUES PERMETTANT LE TRAITEMENT DE MALADIES INFLAMMATOIRES

  摘要：

  本发明涉及能够同时结合表面靶蛋白和内源或外源人类抗体蛋白并诱导免疫效应功能的非肽类、异二价分子（HBM）。更具体地，本发明涉及能够结合趋化因子受体并诱导受体阳性病原细胞亚群在受试者中的减少的药剂，用于治疗和/或预防癌症、炎症、自身免疫和过敏性疾病。

  公开号：

  WO2018134731A1
• 作为产物：
  描述：

  4-(3-氨基丙基)-哌嗪-1-羧酸叔丁酯 、 2,4-二硝基氟苯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以79%的产率得到tert-butyl 4-(3-((2,4-dinitrophenyl)amino)propyl)piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES
  [FR] MOLÉCULES HÉTÉROBIVALENTES NON PEPTIDIQUES PERMETTANT LE TRAITEMENT DE MALADIES INFLAMMATOIRES

  摘要：

  本发明涉及能够同时结合表面靶蛋白和内源或外源人类抗体蛋白并诱导免疫效应功能的非肽类、异二价分子（HBM）。更具体地，本发明涉及能够结合趋化因子受体并诱导受体阳性病原细胞亚群在受试者中的减少的药剂，用于治疗和/或预防癌症、炎症、自身免疫和过敏性疾病。

  公开号：

  WO2018134731A1

文献信息

• NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

  公开号：US20190336489A1

  公开（公告）日：2019-11-07

  The present invention relates to non peptidic, heterobivalent molecules (HBM) that are able to simultaneously bind a surface target protein as well as an endogenous or exogenous human antibody protein and induce immune effector function. More specifically, the present invention relates to agents capable of binding to a chemokine receptor and inducing the depletion of chemokine receptor positive subsets of pathogenic cells in a subject for use in the treatment and/or prevention of cancer, inflammatory, autoimmune and allergic disease.
• NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

  公开号：US20210379044A1

  公开（公告）日：2021-12-09

  The present invention relates to non peptidic, heterobivalent molecules (HBM) that are able to simultaneously bind a surface target protein as well as an endogenous or exogenous human antibody protein and induce immune effector function. More specifically, the present invention relates to agents capable of binding to a chemokine receptor and inducing the depletion of chemokine receptor positive subsets of pathogenic cells in a subject for use in the treatment and/or prevention of cancer, inflammatory, autoimmune and allergic disease.
• [EN] NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES<br/>[FR] MOLÉCULES HÉTÉROBIVALENTES NON PEPTIDIQUES PERMETTANT LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2018134731A1

  公开（公告）日：2018-07-26

  The present invention relates to non peptidic, heterobivalent molecules (HBM) that are able to simultaneously bind a surface target protein as well as an endogenous or exogenous human antibody protein and induce immune effector function. More specifically, the present invention relates to agents capable of binding to a chemokine receptor and inducing the depletion of chemokine receptor positive subsets of pathogenic cells in a subject for use in the treatment and/or prevention of cancer, inflammatory, autoimmune and allergic disease.

  本发明涉及能够同时结合表面靶蛋白和内源或外源人类抗体蛋白并诱导免疫效应功能的非肽类、异二价分子（HBM）。更具体地，本发明涉及能够结合趋化因子受体并诱导受体阳性病原细胞亚群在受试者中的减少的药剂，用于治疗和/或预防癌症、炎症、自身免疫和过敏性疾病。