N-(3-甲基-2-吡啶基)-1,2-乙二胺 | 81528-65-6

• 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: N-(3-甲基-2-吡啶基)-1,2-乙二胺
• 英文名称: 2-(2-aminoethylamino)-3-methylpyridine
• 英文别名: N-(3-methylpyridin-2-yl)ethane-1,2-diamine；N'-(3-methylpyridin-2-yl)ethane-1,2-diamine
• CAS: 81528-65-6
• 化学式: C₈H₁₃N₃
• 分子量: 151.211
• InChiKey: FOMZKRMMBHSXRG-UHFFFAOYSA-N

物化性质

• 沸点：
  309.2±32.0 °C(Predicted)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• WGK Germany：
  3

SDS

MSDS英文版

反应信息

• 作为反应物：
  描述：

  spirothiazamenthane 、 N-(3-甲基-2-吡啶基)-1,2-乙二胺 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以47%的产率得到N¹-(3-methylpyridin-2-yl)-N²-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)ethane-1,2-diamine
  参考文献：
  名称：

  Arns, Steve; Balgi, Aruna D.; Shimizu, Yoko, European Journal of Medicinal Chemistry, 2016, vol. 120, p. 64 - 73

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-3-甲基吡啶 、 乙二胺 反应 18.0h， 生成 N-(3-甲基-2-吡啶基)-1,2-乙二胺
  参考文献：
  名称：

  Discovery of Aminoglycoside Mimetics by NMR-Based Screening of Escherichia coli A-site RNA

  摘要：

  A method is described for the NMR-based screening for the discovery of aminoglycoside mimetics that bind to Escherichia coli A-site RNA. Although aminoglycosides are clinically useful, they exhibit high nephrotoxicity and ototoxicity, and their overuse has led to the development of resistance to important microbial pathogens. To identify a new series of aminoglycoside mimetics that could potentially overcome the problems associated with toxicities and resistance development observed with the aminoglycosides, we have prepared large quantities of E. coli 16 S A-site RNA and conducted an NMR-based screening of our compound library in search for small-molecule RNA binders against this RNA target. From these studies, several classes of compounds were identified as initial hits with binding affinities in the range of 70 muM to 3 mM. Lead optimization through synthetic modifications of these initial hits led to the discovery of several small-molecule aminoglycoside mimetics that are structurally very different from the known aminoglycosides. Structural models of the A-site RNA/ligand complexes were prepared and compared to the three-dimensional structures of the RNA/aminoglycoside complexes.

  DOI：

  10.1021/ja021354o

文献信息

• Aryloxypropanolamine, Verfahren zu ihrer Herstellung und diese Verbindungen enthaltende Arzneimittel
  申请人：BOEHRINGER MANNHEIM GMBH

  公开号：EP0042593A1

  公开（公告）日：1981-12-30

  Die neuen Verbindungen der allgemeinen Formel in der R1-C6 jeweils Wasserstoff, Alkyl oder ggf. weitere Substituenten, A einen Heterocyclus, X eine Alkylenkette und R7-R11 ein- oder zweibindige Reste, wie Wasserstoff, Halogen, Nitro usw. bzw. Sauerstoff oder Schwefel, bedeuten, haben cardiotone und/oder ß-rezeptoren-blockierende Wirkungen und können daher zur Behandlung und Prophylaxe von Herz- und Kreislauferkrankungen verwendet werden. Verfahren zu ihrer Herstellung sowie Arneimittel, die diese Verbindungen enthalten, werden beschrieben.

  通式如下的新化合物 其中 R1-C6 各为氢、烷基或可选的进一步取代基，A 为杂环，X 为亚烷基链，R7-R11 为单价或二价基，如氢、卤素、硝基等或氧或硫，具有强心和/或 ß 受体阻断作用，因此可用于治疗和预防心血管疾病。本文介绍了这些化合物的制备方法和含有这些化合物的药物。
• US4438128A
  申请人：——

  公开号：US4438128A

  公开（公告）日：1984-03-20
• US4608383A
  申请人：——

  公开号：US4608383A

  公开（公告）日：1986-08-26
• [EN] GAL3 ANTAGONISTS FOR THE TREATMENT OF NEUROPATHIC PAIN<br/>[FR] ANTAGONISTES DE GAL3 DESTINES AU TRAITEMENT DE DOULEURS NEUROPATHIQUES
  申请人：SYNAPTIC PHARMA CORP

  公开号：WO2004014307A2

  公开（公告）日：2004-02-19

  This invention is directed to pyrimidine and indolone derivatives which are selective antagonists for the GAL3 receptor and are useful for the treatment of neuropathic pain and other abnormalities. This invention also provides a method of treating a subject suffering from an abnormality which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's abnormality. This invention also provides a method of treating an abnormality in a subject which comprises administering to the subject a composition comprising a pharmaceutically acceptable carrier and a therapeutically effective amount of a GAL3 receptor antagonist.
• Discovery of Aminoglycoside Mimetics by NMR-Based Screening of <i>Escherichia </i><i>c</i><i>oli</i> A-site RNA
  作者：Liping Yu、Thorsten K. Oost、Jeffrey M. Schkeryantz、Jianguo Yang、Dave Janowick、Stephen W. Fesik

  DOI：10.1021/ja021354o

  日期：2003.4.1

  A method is described for the NMR-based screening for the discovery of aminoglycoside mimetics that bind to Escherichia coli A-site RNA. Although aminoglycosides are clinically useful, they exhibit high nephrotoxicity and ototoxicity, and their overuse has led to the development of resistance to important microbial pathogens. To identify a new series of aminoglycoside mimetics that could potentially overcome the problems associated with toxicities and resistance development observed with the aminoglycosides, we have prepared large quantities of E. coli 16 S A-site RNA and conducted an NMR-based screening of our compound library in search for small-molecule RNA binders against this RNA target. From these studies, several classes of compounds were identified as initial hits with binding affinities in the range of 70 muM to 3 mM. Lead optimization through synthetic modifications of these initial hits led to the discovery of several small-molecule aminoglycoside mimetics that are structurally very different from the known aminoglycosides. Structural models of the A-site RNA/ligand complexes were prepared and compared to the three-dimensional structures of the RNA/aminoglycoside complexes.