2-amino-4-benzyl-pyridine | 91391-85-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-amino-4-benzyl-pyridine
• 英文别名: 2-Amino-4-benzyl-pyridin；4-benzyl-pyridin-2-ylamine；4-Benzylpyridin-2-amine
• CAS: 91391-85-4
• 化学式: C₁₂H₁₂N₂
• 分子量: 184.241
• InChiKey: USWDEKDRZVWZQY-UHFFFAOYSA-N

物化性质

• 沸点：
  349.4±27.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-amino-4-benzyl-pyridine 在 palladium on activated charcoal N-甲基吗啉 、 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 100.0 ℃ 、206.84 kPa 条件下， 生成 2-((1-((4-Benzylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
  参考文献：
  名称：

  Novel Selective Inhibitors of Neutral Endopeptidase for the Treatment of Female Sexual Arousal Disorder. Synthesis and Activity of Functionalized Glutaramides

  摘要：

  Female sexual arousal disorder (FSAD) is a highly prevalent sexual disorder affecting up to 40% of women. We describe herein our efforts to identify a selective neutral endopeptidase (NEP) inhibitor as a potential treatment for FSAD. The rationale for this approach, together with a description of the medicinal chemistry strategy, lead compounds, and SAR investigations are detailed. In particular, the strategy of starting with the clinically precedented selective NEP inhibitor, Candoxatrilat, and targeting low molecular weight and relatively polar mono-carboxylic acids is described. This led ultimately to the prototype development candidate R-13, for which detailed pharmacology and pharmacokinetic parameters are presented.(1)

  DOI：

  10.1021/jm060133g
• 作为产物：
  描述：

  2,4-二溴吡啶 在 palladium on activated charcoal 盐酸 、 ammonium hydroxide 、 正丁基锂 、 氢气 、 copper(II) sulfate 作用下， 以 乙醚 、 乙醇 、 正己烷 为溶剂， -78.0~135.0 ℃ 、206.84 kPa 条件下， 反应 35.5h， 生成 2-amino-4-benzyl-pyridine
  参考文献：
  名称：

  Novel Selective Inhibitors of Neutral Endopeptidase for the Treatment of Female Sexual Arousal Disorder. Synthesis and Activity of Functionalized Glutaramides

  摘要：

  Female sexual arousal disorder (FSAD) is a highly prevalent sexual disorder affecting up to 40% of women. We describe herein our efforts to identify a selective neutral endopeptidase (NEP) inhibitor as a potential treatment for FSAD. The rationale for this approach, together with a description of the medicinal chemistry strategy, lead compounds, and SAR investigations are detailed. In particular, the strategy of starting with the clinically precedented selective NEP inhibitor, Candoxatrilat, and targeting low molecular weight and relatively polar mono-carboxylic acids is described. This led ultimately to the prototype development candidate R-13, for which detailed pharmacology and pharmacokinetic parameters are presented.(1)

  DOI：

  10.1021/jm060133g

文献信息

• Substituted 2,2'-bipyridyl compounds and process for preparing same
  申请人：Reilly Tar & Chemical Corporation

  公开号：US04177349A1

  公开（公告）日：1979-12-04

  A process for preparing substituted 2,2'-bipyridyl compounds and several compounds so prepared, the process comprising the steps of first selecting a substituted pyridine of the formula defined herein, then mixing a stoichiometric excess of the substituted pyridine with an amount of sodamide, causing the resultant mixture to be at a temperature sufficiently high to cause substituted 2,2'-bipyridyl formation, and isolating the substituted 2,2'-bipyridyl thereby formed. The new substituted 2,2'-bipyridyl compounds are selected from the group consisting of 4,4'-di-(5-nonyl)-2,2'-bipyridyl; 4,4'-di-(3-pentyl)-2,2'-bipyridyl; 6,6'-di-(3-pentyl)-2,2'-bipyridyl; 6,6'-di-(5-nonyl)-2,2'-bipyridyl; 4,4'-di-(cyclohexylmethyl)-2,2'-bipyridyl; 5,5'-di-(5-nonyl)-2,2'-bipyridyl; 4,4'-di-(3-phenylpropyl)-2,2'-bipyridyl; 4,4'-di-(4-tetrahydropyranyl)-2,2'-bipyridyl; 4,4'-di-benzyl-2,2'-bipyridyl; 6,6'-di-isoamyl-2,2'-bipyridyl; and 4,4'-di-(t-butyl)-2,2'-bipyridyl.

  一种制备取代2,2'-联吡啶化合物的方法以及制备的几种化合物，该方法包括以下步骤：首先选择一个符合定义的取代吡啶的化合物，然后将过量的该取代吡啶与一定量的氨基钠混合，使得混合物在足够高的温度下形成取代的2,2'-联吡啶，并分离所形成的取代2,2'-联吡啶。新的取代2,2'-联吡啶化合物包括以下化合物：4,4'-二-(5-壬基)-2,2'-联吡啶；4,4'-二-(3-戊基)-2,2'-联吡啶；6,6'-二-(3-戊基)-2,2'-联吡啶；6,6'-二-(5-壬基)-2,2'-联吡啶；4,4'-二-(环己甲基)-2,2'-联吡啶；5,5'-二-(5-壬基)-2,2'-联吡啶；4,4'-二-(3-苯基丙基)-2,2'-联吡啶；4,4'-二-(4-四氢吡喃基)-2,2'-联吡啶；4,4'-二-苄基-2,2'-联吡啶；6,6'-二-异戊基-2,2'-联吡啶；以及4,4'-二-(叔丁基)-2,2'-联吡啶。
• S1P receptor modulating compounds and use thereof
  申请人：Burli Roland

  公开号：US20080027036A1

  公开（公告）日：2008-01-31

  The present invention relates to compounds of the general formula (I) that have activity as S1P receptor modulating agents and the use of such compounds to treat diseases associated with inappropriate S1P receptor activity. The compounds may be used as immunomodulators, e.g., for treating or preventing diseases such as autoimmune and related immune disorders including systemic lupus erythematosus, inflammatory bowel diseases such as Crohn's disease and ulcerative colitis, type I diabetes, uveitis, psoriasis, myasthenia gravis, rheumatoid arthritis, non-glomerular nephrosis, hepatitis, Behçet's disease, glomerulonephritis, chronic thrombocytopenic purpura, hemolytic anemia, hepatitis and Wegner's granuloma; and for treating other conditions.

  本发明涉及一般式（I）的化合物，其具有作为S1P受体调节剂的活性，以及使用这种化合物来治疗与不适当的S1P受体活性相关的疾病。这些化合物可以用作免疫调节剂，例如，用于治疗或预防自身免疫和相关免疫紊乱疾病，包括系统性红斑狼疮、炎症性肠病，如克隆病和溃疡性结肠炎、1型糖尿病、葡萄膜炎、牛皮癣、重症肌无力、类风湿性关节炎、非肾小球性肾病、肝炎、Behçet病、肾小球肾炎、慢性血小板减少性紫癜、溶血性贫血、肝炎和Wegner肉芽肿；以及用于治疗其他疾病。
• S1P Receptor Modulating Compounds and Use Thereof
  申请人：Burli Roland

  公开号：US20110212940A1

  公开（公告）日：2011-09-01

  The present invention relates to compounds of the general formula (I) that have activity as S1P receptor modulating agents and the use of such compounds to treat diseases associated with inappropriate S1P receptor activity. The compounds may be used as immunomodulators, e.g., for treating or preventing diseases such as autoimmune and related immune disorders including systemic lupus erythematosus, inflammatory bowel diseases such as Crohn's disease and ulcerative colitis, type I diabetes, uveitis, psoriasis, myasthenia gravis, rheumatoid arthritis, non-glomerular nephrosis, hepatitis, Behçet's disease, glomerulonephritis, chronic thrombocytopenic purpura, hemolytic anemia, hepatitis and Wegner's granuloma; and for treating other conditions.

  本发明涉及一般式（I）的化合物，该化合物具有作为S1P受体调节剂的活性，以及使用这种化合物治疗与不适当的S1P受体活性相关的疾病。这些化合物可以用作免疫调节剂，例如，用于治疗或预防自身免疫和相关免疫性疾病，包括全身性红斑狼疮、炎症性肠病（如克罗恩病和溃疡性结肠炎）、1型糖尿病、葡萄膜炎、银屑病、重症肌无力、类风湿性关节炎、非肾小球性肾病、肝炎、Behçet病、肾小球肾炎、慢性血小板减少性紫癜、溶血性贫血、肝炎和Wegner肉芽肿；以及用于治疗其他疾病。
• NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US20160046616A1

  公开（公告）日：2016-02-18

  Small molecule inhibitors of Nrf2 and methods of their use are provided for treating or preventing a disease, disorder or condition associated with an Nrf2-regulated pathway. The compound can be administered as a single agent or can be administered to enhance the efficacy of a chemotherapeutic drug and/or radiation therapy.

  提供了Nrf2的小分子抑制剂及其使用方法，用于治疗或预防与Nrf2调节通路相关的疾病、疾患或病情。该化合物可以作为单一药剂使用，也可以用于增强化疗药物和/或放射治疗的疗效。
• S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF
  申请人：EPIX Pharmaceuticals, Inc.

  公开号：EP2121648A2

  公开（公告）日：2009-11-25