N-(3-pyridylmethyl)trimethylenediamine | 100553-71-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(3-pyridylmethyl)trimethylenediamine
• 英文别名: N1-(3-Pyridinylmethyl)-1,3-propanediamine；N'-(pyridin-3-ylmethyl)propane-1,3-diamine
• CAS: 100553-71-7
• 化学式: C₉H₁₅N₃
• 分子量: 165.238
• InChiKey: IFZYTBAJJNWAKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(3-pyridylmethyl)trimethylenediamine 、 methyl [4-(chloroacetyl)-1-(2-chlorophenyl)-5-hydroxy-1H-pyrazol-3-yl]acetate 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Design, synthesis and biological activity of original pyrazolo-pyrido-diazepine, -pyrazine and -oxazine dione derivatives as novel dual Nox4/Nox1 inhibitors

  摘要：

  Pyrazolo-pyrido-diazepine, -pyrazine and -oxazine dione derivatives are new chemical entities with good and attractive druglikeness properties. A series of pyrazolo-pyrido-diazepine dione analogs demonstrated to be particularly amenable to lead optimization through a couple of cycles in order to improve specificity for isoforms Nox4 and Nox1 and had excellent pharmacokinetic parameters by oral route. Several molecules such as compound 7c proved to be highly potent in in vitro assays on human lung fibroblasts differentiation as well as in curative murine models of bleomycin-induced pulmonary fibrosis with superior efficiency over Pirfenidone. Pyrazolo-pyrido-diazepine dione derivatives targeting Nox4 and Nox1 isoforms appear highly promising therapeutics for the treatment of idiopathic pulmonary fibrosis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.10.016

文献信息

• [EN] PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DE MONOMÈRES À FONCTION GUANIDINO
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2014204763A1

  公开（公告）日：2014-12-24

  A process for preparing guanidino-functional, free radically polymerizable compounds comprises (a) combining (1) an amine compound comprising (i) at least one primary aliphatic amino group and (ii) at least one secondary aliphatic amino group, primary aromatic amino group, or secondary aromatic amino group, and (2) a guanylating agent; (b) allowing or inducing reaction of the amine compound and the guanylating agent to form a guanylated amine compound; (c) combining (1) the guanylated amine compound, and (2) a reactive monomer comprising (i) at least one ethylenically unsaturated group and (ii) at least one group that is reactive with an amino group; and (d) allowing or inducing reaction of the guanylated amine compound and the reactive monomer to form a guanidino-functional, free radically polymerizable compound.

  制备胍基功能自由基聚合化合物的过程包括(a)结合(1)包含(i)至少一个主链脂肪氨基团和(ii)至少一个次级链脂肪氨基团、主链芳香胺基团或次级芳香胺基团的胺基化合物和(2)胍基化试剂；(b)允许或诱导胺基化合物和胍基化试剂发生反应以形成胍基化胺基化合物；(c)结合(1)胍基化胺基化合物和(2)包含(i)至少一个乙烯不饱和基团和(ii)至少一个与氨基反应的基团的反应单体；(d)允许或诱导胍基化胺基化合物和反应单体发生反应以形成胍基功能自由基聚合化合物。
• PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS
  申请人：3M INNOVATIVE PROPERTIES COMPANY

  公开号：US20160096802A1

  公开（公告）日：2016-04-07

  A process for preparing guanidino-functional, free radically polymerizable compounds comprises (a) combining (1) an amine compound comprising (i) at least one primary aliphatic amino group and (ii) at least one secondary aliphatic amino group, primary aromatic amino group, or secondary aromatic amino group, and (2) a guanylating agent; (b) allowing or inducing reaction of the amine compound and the guanylating agent to form a guanylated amine compound; (c) combining (1) the guanylated amine compound, and (2) a reactive monomer comprising (i) at least one ethylenically unsaturated group and (ii) at least one group that is reactive with an amino group; and (d) allowing or inducing reaction of the guanylated amine compound and the reactive monomer to form a guanidino-functional, free radically polymerizable compound.

  制备含有胍基官能团、自由基聚合化合物的过程包括：（a）混合（1）一种胺化合物，该胺化合物包括（i）至少一个一级脂肪族氨基团和（ii）至少一个二级脂肪族氨基团、一级芳香族氨基团或二级芳香族氨基团，以及（2）一种胍基化试剂；（b）使胺化合物和胍基化试剂发生反应形成胍基化胺化合物；（c）混合（1）胍基化胺化合物和（2）一种反应单体，该反应单体包括（i）至少一个乙烯基不饱和基团和（ii）至少一个与氨基反应的基团；（d）使胍基化胺化合物和反应单体发生反应形成含有胍基官能团、自由基聚合化合物。
• Nitromethylen-Derivate, Verfahren zur ihrer Herstellung sowie insektizide, mitizide und nematizide Mittel
  申请人：NIHON TOKUSHU NOYAKU SEIZO K.K.

  公开号：EP0154178A1

  公开（公告）日：1985-09-11

  Es werden neue Nitromethylen-Derivate der allgemeinen Formel bereitgestellt, in der R ein Wasserstoff-Atom oder eine niedere Alkyl-Gruppe bezeichnet, m für 2, 3 oder 4 steht und n für 0, 1, 2 oder 3 steht. Die neuen Verbindungen werden durch Umsetzung von Verbindungen der Formel mit solchen der Formel erhalten und zeigen sehr gute insektizide, mitizide und nematizide Eigenschaften.

  通式如下的新硝基亚甲基衍生物 其中 R 表示氢原子或低级烷基，m 为 2、3 或 4，n 为 0、1、2 或 3。 这些新化合物是通过将通式为 与式 并表现出非常好的杀虫、杀螨虫和杀线虫特性。
• Process for preparing guanidino-functional monomers
  申请人：3M INNOVATIVE PROPERTIES COMPANY

  公开号：US10239828B2

  公开（公告）日：2019-03-26

  A process for preparing guanidino-functional, free radically polymerizable compounds comprises (a) combining (1) an amine compound comprising (i) at least one primary aliphatic amino group and (ii) at least one secondary aliphatic amino group, primary aromatic amino group, or secondary aromatic amino group, and (2) a guanylating agent; (b) allowing or inducing reaction of the amine compound and the guanylating agent to form a guanylated amine compound; (c) combining (1) the guanylated amine compound, and (2) a reactive monomer comprising (i) at least one ethylenically unsaturated group and (ii) at least one group that is reactive with an amino group; and (d) allowing or inducing reaction of the guanylated amine compound and the reactive monomer to form a guanidino-functional, free radically polymerizable compound.

  一种制备可自由基聚合的胍基官能团化合物的工艺包括(a)将(1)包含(i)至少一个伯脂族氨基和(ii)至少一个仲脂族氨基、伯芳族氨基或仲芳族氨基的胺化合物与(2)一种鸟苷酸化剂结合；(b)允许或诱导胺化合物与鸟苷酸化剂反应以形成鸟苷酸化胺化合物；(c) 将(1)鸟苷化胺化合物和(2)反应性单体结合，反应性单体包括(i)至少一个乙 烯不饱和基团和(ii)至少一个与氨基反应的基团；以及 (d) 允许或诱导鸟苷化胺化合物和反应性单体反应，以形成鸟苷酸官能团、可 自由基聚合的化合物。
• SIOKAVA, KODZO;TOSIBEH, SINDZO;MORIYA, AKIITI
  作者：SIOKAVA, KODZO、TOSIBEH, SINDZO、MORIYA, AKIITI

  DOI：——

  日期：——