2-(2-aminoethylamino)-5-methylpyridine | 88260-11-1

• 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-(2-aminoethylamino)-5-methylpyridine
• 英文别名: N1-(5-methylpyridin-2-yl)ethane-1,2-diamine；N'-(5-methylpyridin-2-yl)ethane-1,2-diamine
• CAS: 88260-11-1
• 化学式: C₈H₁₃N₃
• mdl: MFCD09936826
• 分子量: 151.211
• InChiKey: FSANRKUMJZHZDS-UHFFFAOYSA-N

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：
  0.375
• 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：

  2-bromo-7-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 、 2-(2-aminoethylamino)-5-methylpyridine 在 N,N-二异丙基乙胺 作用下， 反应 1.5h， 以43%的产率得到7-ethyl-2-((2-((5-methylpyridin-2-yl)amino)ethyl)amino)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
  参考文献：
  名称：

  Discovery and Development of First-in-Class ACKR3/CXCR7 Superagonists for Platelet Degranulation Modulation

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01198
• 作为产物：
  描述：

  2-氯-5-甲基吡啶 、 乙二胺 反应 1.0h， 以79%的产率得到2-(2-aminoethylamino)-5-methylpyridine
  参考文献：
  名称：

  Discovery and Development of First-in-Class ACKR3/CXCR7 Superagonists for Platelet Degranulation Modulation

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01198

文献信息

• INHIBITORS OF HIV REPLICATION
  申请人：STURINO Claudio

  公开号：US20100261714A1

  公开（公告）日：2010-10-14

  Compounds of formula (I): wherein R 1 , R 2 , A 1 , A 2 , A 3 , A 4 , X and Y are as defined herein, are useful as inhibitors of HIV replication.

  式(I)的化合物： 其中R1、R2、A1、A2、A3、A4、X和Y如本文所定义，可用作HIV复制抑制剂。
• PRMT5 INHIBITORS AND USES THEREOF
  申请人：EPIZYME, INC.

  公开号：US20150361042A1

  公开（公告）日：2015-12-17

  Described herein are compounds of formula (A), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5-mediated disorders are also described.

  本文描述了A式化合物及其药学上可接受的盐和制药组合物。本发明的化合物对于抑制PRMT5活性是有用的。本文还描述了使用这些化合物治疗PRMT5介导的疾病的方法。
• 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.
• US8349839B2
  申请人：——

  公开号：US8349839B2

  公开（公告）日：2013-01-08
• [EN] INHIBITORS OF HIV REPLICATION<br/>[FR] INHIBITEURS DE LA RÉPLICATION DU VIH
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010115264A1

  公开（公告）日：2010-10-14

  Compounds of formula (I): wherein R1, R2, A1, A2, A3, A4, X and Y are as defined herein, are useful as inhibitors of HIV replication.