N-((1H-indol-3-yl)methyl)-4-methylbenzeneamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-((1H-indol-3-yl)methyl)-4-methylbenzeneamine
• 英文别名: N-((1H-indol-3-yl)methyl)-4-methylaniline；N-((1H-indol-3-yl)methyl)-4-methylbenzenamine；N-(1H-indol-3-ylmethyl)-4-methylaniline
• 化学式: C₁₆H₁₆N₂
• mdl: MFCD04024824
• 分子量: 236.316
• InChiKey: STRKAUOQYQSHBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  27.8
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  吲哚-3-甲醇 、 乙烷,三氯氟- 在 trans-[Fe(N,N’-bis(diisopropylphosphino)-N''-dimethyl-2,4,6-triamino-1,3,5-triazine)(CO)Br₂] 、 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以73%的产率得到N-((1H-indol-3-yl)methyl)-4-methylbenzeneamine
  参考文献：
  名称：

  空气稳定的铁（II）PNP钳形配合物，作为胺与醇选择性烷基化的高效催化剂

  摘要：

  制备了一系列具有明确定义的铁（II）配合物，其类型为[Fe（PNP）Br 2 ]和[Fe（PNP）（CO）Br 2 ]，具有基于三嗪和吡啶骨架的PNP钳形配体。测试了这些络合物作为胺被醇烷基化的催化剂。高自旋络合物[Fe（PNP）Br 2 ]具有催化活性。带有羰基共配体的低自旋络合物[Fe（PNP）（CO）Br 2 ]有效地和选择性地将伯醇以及芳族和苄基胺选择性地转化为单N烷基化胺，分离率高至优异。给出了机械的建议。

  DOI：

  10.1002/adsc.201600689

文献信息

• Air Stable Iron(II) PNP Pincer Complexes as Efficient Catalysts for the Selective Alkylation of Amines with Alcohols
  作者：Matthias Mastalir、Berthold Stöger、Ernst Pittenauer、Michael Puchberger、Günter Allmaier、Karl Kirchner

  DOI：10.1002/adsc.201600689

  日期：2016.12.7

  A series of well‐defined iron(II) complexes of the types [Fe(PNP)Br2] and [Fe(PNP)(CO)Br2] with PNP pincer ligands based on triazine and pyridine backbones were prepared and fully characterized. These complexes were tested as catalysts for the alkylation of amines by alcohols. The high‐spin complexes [Fe(PNP)Br2] are catalytically inactive. The low‐spin complexes [Fe(PNP)(CO)Br2] bearing a carbonyl

  制备了一系列具有明确定义的铁（II）配合物，其类型为[Fe（PNP）Br 2 ]和[Fe（PNP）（CO）Br 2 ]，具有基于三嗪和吡啶骨架的PNP钳形配体。测试了这些络合物作为胺被醇烷基化的催化剂。高自旋络合物[Fe（PNP）Br 2 ]具有催化活性。带有羰基共配体的低自旋络合物[Fe（PNP）（CO）Br 2 ]有效地和选择性地将伯醇以及芳族和苄基胺选择性地转化为单N烷基化胺，分离率高至优异。给出了机械的建议。
• Combining enzyme and photoredox catalysis for aminoalkylation of indoles via a relay catalysis strategy in one pot
  作者：Yan-Hong He、Yang Xiang、Da-Cheng Yang、Zhi Guan

  DOI：10.1039/c6gc00550k

  日期：——

  A strategy for combining enzyme and visible-light for mild aminoalkylation of indoles via a relay catalysis reaction is described.

  本文描述了一种将酶和可见光相结合的策略，通过中继催化反应实现对吲哚的温和氨基烷基化。
• Caspase inhibitors and uses thereof
  申请人：Diu-Hercend Anita

  公开号：US20070010457A1

  公开（公告）日：2007-01-11

  The present invention relates to novel classes of compounds of formula I which are caspase and TNF-alpha inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting caspase and TNF-alpha activity and consequently, can be advantageously used as agents against caspase-, interleukin-1-(“IL-1”), apoptosis-, interferon-y inducing factor-(IGIF), interferon-γ-(“IFN-γ”), or TNF-alpha mediated diseases, including inflammatory diseases, autoimmune diseases, destructive bone disorders, proliferative disorders, infectious diseases, and degenerative diseases. This invention also relates to processes for preparing the compounds of this invention. This invention also relates to methods for inhibiting caspase and TNF-alpha activity and decreasing IGIF production and IFN-γ production and methods for treating caspase-, interleukin-1, apoptosis-, and interferon-γ-, and TNF-alpha mediated diseases using the compounds and compositions of this invention.

  本发明涉及式I的新型化合物类别，这些化合物是caspase和TNF-alpha抑制剂。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制caspase和TNF-alpha活性，因此可以作为对caspase、白细胞介素1（“IL-1”）、凋亡、干扰素y诱导因子（IGIF）、干扰素γ（“IFN-γ”）或TNF-alpha介导的疾病的药物，包括炎症性疾病、自身免疫性疾病、破坏性骨疾病、增殖性疾病、传染性疾病和退行性疾病。本发明还涉及制备本发明化合物的方法。本发明还涉及使用本发明化合物和组合物抑制caspase和TNF-alpha活性、减少IGIF和IFN-γ生成以及治疗caspase、白细胞介素1、凋亡和干扰素γ和TNF-alpha介导的疾病的方法。
• Caspase inhibitor prodrugs
  申请人：Mortimore Michael

  公开号：US20080199454A1

  公开（公告）日：2008-08-21

  The present invention relates to compounds of formula I which are prodrugs of caspase inhibitors and pharmaceutically acceptable salts thereof. This invention further relates to the release of caspase inhibitors from these compounds through selective bond cleavage. This invention further relates to pharmaceutical compositions comprising these compounds, which are particularly well-suited for treatment of caspase-mediated diseases, including inflammatory and degenerative diseases. This invention further relates to methods for preparing compounds of this invention.
• US7807659B2
  申请人：——

  公开号：US7807659B2

  公开（公告）日：2010-10-05