2-(1-甲基-3-吡咯烷)乙胺 | 774213-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 2-(1-甲基-3-吡咯烷)乙胺
• 英文名称: 2-(1-methylpyrrolidin-3-yl)ethylamine
• 英文别名: 4-(2-aminoethyl)-1-methylpyrrolidine；2-(1-Methylpyrrolidin-3-yl)ethan-1-amine；2-(1-methylpyrrolidin-3-yl)ethanamine
• CAS: 774213-88-6
• 化学式: C₇H₁₆N₂
• 分子量: 128.217
• InChiKey: CQGLYACIZMXCQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-(1-甲基-3-吡咯烷)乙胺 、 2,6-dichloro-N-methylquinazolin-4-amine 在 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 0.17h， 生成 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine
  参考文献：
  名称：

  Discovery of Quinazolines as Histamine H₄ Receptor Inverse Agonists Using a Scaffold Hopping Approach

  摘要：

  From a series of small fragments that was designed to probe the histamine H-4 receptor (H4R), we previously described quinoxaline-containing fragments that were grown into high affinity H4R ligands in a process that was guided by pharmacophore modeling. With a scaffold hopping exercise and using the same in silico models, we now report the identification and optimization of a series of quinazoline-containing H4R compounds. This approach led to the discovery of 6-chloi-o-N-(furan-3-yl)methyl)2-(4-methylpiperzin-1-yl)quinazolin-4-amine (VUF10499, 54) and 6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (VUF10497, 55) as potent human H4R inverse agonists (pK(i) = 8.12 and 7.57, respectively). Interestingly, both compounds also possess considerable affinity for the human histamine Hi receptor (H1R) and therefore represent a novel class of dual action H1R/H4R ligands, a profile that potentially leads to added therapeutic benefit. Compounds from this novel series of quirlazolines are antagonists at the rat H4R and were found to possess anti-inflammatory properties in vivo in the rat.

  DOI：

  10.1021/jm800876b

文献信息

• FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF
  申请人：Tabomedex Biosciences, LLC

  公开号：US20170190713A1

  公开（公告）日：2017-07-06

  Provided herein are substituted fused quadracyclic compounds useful as inhibitors of MK2. The invention further provides pharmaceutical compositions of the compounds of the invention. The invention also provides medical uses of substituted fused quadracyclic compounds.

  本文提供了作为MK2抑制剂有用的替代融合四环化合物。本发明还提供了所述化合物的药物组合物。本发明还提供了替代融合四环化合物的医药用途。
• INHIBITORS OF VIRAL REPLICATION
  申请人：Beigelman Leonid

  公开号：US20090099186A1

  公开（公告）日：2009-04-16

  The embodiments provide compounds of the general Formulas I-IV, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  实施例提供了一般公式I-IV的化合物，以及包括主题化合物的组合物，包括药物组合物。实施例还提供了治疗方法，包括治疗丙型肝炎病毒感染的方法和治疗肝纤维化的方法，这些方法通常涉及向需要的个体施用主题化合物或组合物的有效量。
• [EN] INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE<br/>[FR] ACETAMIDES D'INDOLE COMME INHIBITEURS DE LA POLYMERASE NS5B DU VIRUS DE L'HEPATITE C
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2004087714A1

  公开（公告）日：2004-10-14

  The present invention relates to indole and azaindole compounds of formula (I): wherein X1, X2, X3, X4, A1, Ar1, R1, R2 and n are as defined herein, and pharmaceutically acceptable salts thereof, useful in the prevention and treatment of hepatitis C infections.

  本发明涉及式(I)的吲哚和氮杂吲哚化合物：其中X1、X2、X3、X4、A1、Ar1、R1、R2和n的定义如本文所述，以及其药用盐，用于预防和治疗丙型肝炎感染。
• Novel carbazole derivatives as NPY Y1 antagonists
  作者：Colin P. Leslie、Romano Di Fabio、Francesca Bonetti、Manuela Borriello、Simone Braggio、Giovanna Dal Forno、Daniele Donati、Alessandro Falchi、Damiano Ghirlanda、Riccardo Giovannini、Francesca Pavone、Angelo Pecunioso、Giorgio Pentassuglia、Domenica A. Pizzi、Giovanna Rumboldt、Luigi Stasi

  DOI：10.1016/j.bmcl.2006.11.034

  日期：2007.2

  The synthesis of a series of carbazole derivatives and their SAR at the NPY Y1 receptor is described. Modulation of physicochemical properties by appropriate decoration led to the identification of a high-affinity NPY Y1 antagonist that shows high brain penetration and modest oral bioavailability.

  描述了一系列咔唑衍生物及其在NPY Y1受体上的SAR的合成。通过适当的修饰来调节理化特性可导致鉴定出高亲和力的NPY Y1拮抗剂，该拮抗剂具有较高的脑渗透能力和适度的口服生物利用度。
• Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them
  申请人：——

  公开号：US20040053911A1

  公开（公告）日：2004-03-18

  Metal-complexable substituted bis-indole derivatives comprising the structure shown in formula (I) hereunder: enantiomers and pharmaceutically acceptable salts thereof and metal complexes thereof, wherein L, R 1 , R 2 , R 3 , C 1 , C 2 , m, n, p, q and r are as defined in claim 1 for use as constrats agents.

  具有以下式子（I）所示结构的金属络合取代双吲哚衍生物：其对映体、药学上可接受的盐及其金属络合物，其中L、R1、R2、R3、C1、C2、m、n、p、q和r如权利要求1所定义，用作造影剂。