quinoline-3-carboxamidine | 299423-78-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: quinoline-3-carboxamidine
• 英文别名: Quinoline-3-carboximidamide
• CAS: 299423-78-2
• 化学式: C₁₀H₉N₃
• 分子量: 171.202
• InChiKey: KPRVDOZCMGSORQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  quinoline-3-carboxamidine 在 sodium ethanolate 、 肼 、 三氯氧磷 作用下， 以 乙醇 、 氯仿 为溶剂， 生成 4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino)-2-quinolin-3-yl-pyrimidine-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7
• 作为产物：
  描述：

  3-氰基喹啉 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 3.0h， 生成 quinoline-3-carboxamidine
  参考文献：
  名称：

  Pyrimidine derivatives as IL-8 receptor antagonists

  摘要：

  含有嘧啶核的化合物及其用于治疗与不适当的白细胞介素-8受体活性相关的疾病和症状的用途已被披露。这些化合物的结构式为I 1 在这些化合物中，Q最好是未取代或取代的杂环烷基；U通常是氢或氟；V最好是氢、卤素、烷基、—O—烷基或—S-烷基。一个代表性的例子是： 2

  公开号：

  US20040087601A1

文献信息

• TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP1425015A2

  公开（公告）日：2004-06-09
• EP1425015A4
  申请人：——

  公开号：EP1425015A4

  公开（公告）日：2004-12-15
• US7037916B2
  申请人：——

  公开号：US7037916B2

  公开（公告）日：2006-05-02
• [EN] TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS<br/>[FR] DERIVES DE TETRAHYDROQUINOLINE UTILISES COMME AGENTS ANTITHROMBOTIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003015715A2

  公开（公告）日：2003-02-27

  This invention relates generally to tetracyclic tetrahydroquinoline compounds, and analogues thereof, and pharmaceutically acceptable salt forms thereof, which are selective inhibitors of serine protease enzymes, especially factor VIIa; pharmaceutical compositions containing the same; and methods of using the same as anticoagulant agents for modulation of the coagulation cascade.
• [EN] PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE PYRIMIDINE UTILISES COMME ANTAGONISTES DES RECEPTEURS DE L'IL-8
  申请人：PHARMACOPEIA INC

  公开号：WO2004062609A2

  公开（公告）日：2004-07-29

  Compounds containing the pyrimidine nucleus and their use to treat diseases and conditions related to inappropriate Interleukin-8 receptor activity are disclosed. The compounds are of the formula (I). In these compounds, Q is preferably unsubstituted and substituted heterocyclyl; U is usually hydrogen or fluorine; and V is preferably hydrogen, halogen, alkyl, -O-alkyl or -S-alkyl. A representative example is formula (X).