6-甲基吡啶-3,4-二胺 | 861199-62-4

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 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
• 中文名称: 6-甲基吡啶-3,4-二胺
• 英文名称: 6-methylpyridine-3,4-diamine
• CAS: 861199-62-4
• 化学式: C₆H₉N₃
• mdl: MFCD09743904
• 分子量: 123.158
• InChiKey: OGCOZWIGCBYCDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  341.5±37.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  64.9
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  6-甲基吡啶-3,4-二胺 在 potassium carbonate 、 sodium iodide 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 4.0h， 生成 2-ethyl-6-methyl-1-(4-phenoxybutyl)-1H-imidazo[4,5-c]pyridine
  参考文献：
  名称：

  Identification of Phenoxyalkylbenzimidazoles with Antitubercular Activity

  摘要：

  We conducted an evaluation of the phenoxyalkylbenzimidazole series based on the exemplar 2-ethyl-1-(3-phenoxypropyl)-1H-benzo[d]imidazole for its antitubercular activity. Four segments of the molecule were examined systematically to define a structure activity relationship with respect to biological activity. Compounds had submicromolar activity against Mycobacterium tuberculosis; the most potent compound had a minimum inhibitory concentration (MIC) of 52 nM and was not cytotoxic against eukaryotic cells (selectivity index = 523). Compounds were selective for M. tuberculosis over other bacterial species, including the closely related Mycobacterium smegmatis. Compounds had a bacteriostatic effect against aerobically grown, replicating M. tuberculosis, but were bactericidal against nonreplicating bacteria. Representative compounds had moderate to high permeability in MDCK cells, but were rapidly metabolized in rodents and human liver microsomes, suggesting the possibility of rapid in vivo hepatic clearance mediated by oxidative metabolism. These results indicate that the readily synthesized phenoxyalkylbenzimidazoles are a promising class of potent and selective antitubercular agents, if the metabolic liability can be solved.

  DOI：

  10.1021/acs.jmedchem.5b00546

文献信息

• [EN] PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES À ACTION PESTICIDE COMPORTANT DES SUBSTITUANTS CONTENANT DE LA SULFOXIMINE
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：WO2019234158A1

  公开（公告）日：2019-12-12

  Compounds of the formula (I), wherein the subsitiuents are as defined in claim 1. Furthermore, the present invention relates to agrochemical compositions which comprise compounds of formula (I), to preparation of these compositions, and to the use of the compounds or compositions in agriculture or horticulture for combating, preventing or controlling animal pests, including arthropods and in particular insects, nematodes, molluscs or representatives of the order Acarina.

  公式（I）化合物，其中取代基如权利要求1中定义。此外，本发明涉及包括公式（I）化合物的农药组合物，制备这些组合物的方法，以及在农业或园艺中使用这些化合物或组合物来对抗、预防或控制动物害虫，包括节肢动物，特别是昆虫、线虫、软体动物或蜱类动物。
• VIRAL INHIBITORS
  申请人：NEYTS Johan

  公开号：US20100004281A1

  公开（公告）日：2010-01-07

  The present invention relates to imidazo[4,5-c]pyridine compounds and pharmaceutical compositions for the treatment or prevention of viral infections, wherein the imidazo[4,5-c]pyridine compounds have the formula:

  本发明涉及咪唑并[4,5-c]吡啶化合物和制备其药学组合物用于治疗或预防病毒感染，其中咪唑并[4,5-c]吡啶化合物的化学式为：
• Polycyclic Organic Compounds, Retardation Layer and Compensation Panel on Their Base
  申请人：Nokel Alexey

  公开号：US20110064892A1

  公开（公告）日：2011-03-17

  This invention relates to polycyclic organic compounds of general structural formula (I): wherein Y is a predominantly planar polycyclic system being at least partially aromatic, W 1 , W 2 , and W 3 are different groups providing solubility in an organic solvent, and sum (n1+n2+n3) is 1, 2, 3, 4, 5, 6, 7 or 8. The polycyclic organic compounds are substantially transparent for electromagnetic radiation in the visible spectral range and are capable of forming supramolecules in the organic solvent.

  本发明涉及一般结构式（I）的多环有机化合物： 其中，Y是一个主要是平面的多环系统，至少部分是芳香性的，W1、W2和W3是不同的基团，提供有机溶剂中的溶解度，而（n1+n2+n3）的总和为1、2、3、4、5、6、7或8。这些多环有机化合物在可见光谱范围内对电磁辐射具有较高的透明度，并能在有机溶剂中形成超分子。
• PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：F. Hoffmann-La Roche AG

  公开号：US20130252941A1

  公开（公告）日：2013-09-26

  The invention provides compounds of Formula I, stereoisomers or pharmaceutically acceptable salts thereof, wherein A, X, R 1 , R 2 , R 4 and R 5 are defined herein, a pharmaceutical composition that includes a compound of Formula I and a pharmaceutically acceptable carrier, adjuvant or vehicle, and methods of using the compound or composition in therapy.

  本发明提供了I式化合物，其立体异构体或药物可接受的盐，其中A，X，R1，R2，R4和R5在此定义，以及包括I式化合物和药物可接受的载体，佐剂或载体的药物组合物，以及使用该化合物或组合物进行治疗的方法。
• 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0151826A1

  公开（公告）日：1985-08-21

  Novel 4-[(bicyclic heterocycly(ymethyl and -hetero]-piperidines of formula wherein B is CH2, O, S, SO or SO2; the pharmaceutically acceptable acid addition salts and the possible stereochemically isomeric forms thereof, which compounds are anti-allergic agents, pharmaceutical compositions containing such compounds as an active ingredient and processes for preparing the said compounds and compositions

  新型 4-[(双环杂环甲基和杂环)-哌啶类化合物，其式为 其中 B 是 CH2、O、S、SO 或 SO2；药学上可接受的酸加成盐及其可能的立体化学异构形式，这些化合物是抗过敏剂，含有这些化合物作为活性成分的药物组合物以及制备上述化合物和组合物的工艺