8-甲基-5-喹啉羧酸 | 74316-52-2

• 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
• 中文名称: 8-甲基-5-喹啉羧酸
• 中文别名: 1-[2-[(2-甲氧基苯氧基)甲基]噻唑烷-3-基]丁烷-1,3-二酮
• 英文名称: 8-methyl-5-quinolinecarboxylic acid
• 英文别名: 8-methyl-quinoline-5-carboxylic acid；8-Methyl-chinolin-5-carbonsaeure；8-methylquinoline-5-carboxylic acid；8-methylquinoline-5-carboxlic acid
• CAS: 74316-52-2
• 化学式: C₁₁H₉NO₂
• mdl: MFCD09048602
• 分子量: 187.198
• InChiKey: QJXFWYXZXLRASZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-甲基-5-喹啉羧酸 以 四氢呋喃 为溶剂， 反应 24.42h， 生成 8-Methylquinoline-5-carboxylic acid anilide
  参考文献：
  名称：

  Synthesis of some bifunctional derivatives of 8-methylquinoline-5-carboxylic acid

  摘要：

  DOI：

  10.1007/bf00506150
• 作为产物：
  描述：

  4-甲基-3-硝基苯甲酸 在 钯 Fe(SO₃C₆H₄NO₂)3*4.5H₂O 、 氢气 作用下， 以 甲醇 、 硫酸 为溶剂， 反应 9.0h， 生成 8-甲基-5-喹啉羧酸
  参考文献：
  名称：

  Synthesis and bromination of 8-methylquinoline-5-carboxylic acid

  摘要：

  DOI：

  10.1007/bf02401726

文献信息

• NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME
  申请人：Kureha Chemical Industry Co., Ltd.

  公开号：EP1273571A1

  公开（公告）日：2003-01-08

  The present invention provides novel compounds having antiviral activities and antiviral drugs containing the compounds as the active ingredient. The compounds are shown by the following general formula (1), wherein typically A1 and A2 are each guanidine or a group of the general fomula (ia) ; A3 is a mono- or poly-cyclic heteroaromatic ring contining 1 or 2 heteroatoms ; B1 is a single bond or alkylene group; R1 is hydrogen or alkyl group; W is an alkylene having 2-3 carbons, a cycloalkylene having 5-10 carbons, aromatic ring having 6-10 carbons, or a heteroaromatic ring having 5-10 carbons; y is C(=O)-; x is -C(=O)-NH-; n1 is an integer of 1-2; n2 is an integer of 2-3; D is a substituent selected from among various groups.

  本发明提供了具有抗病毒活性的新化合物以及含有这些化合物作为活性成分的抗病毒药物。这些化合物由以下一般式（1）所示，其中通常A1和A2分别是胍或一般式（ia）的基团；A3是含有1个或2个杂原子的单环或多环杂芳环；B1是单键或烷基基团；R1是氢或烷基基团；W是具有2-3个碳的烷基、具有5-10个碳的环烷基、具有6-10个碳的芳香环或具有5-10个碳的杂芳环；y是C(=O)-；x是-C(=O)-NH-；n1是1-2的整数；n2是2-3的整数；D是从各种基团中选择的取代基。
• CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND
  申请人：Kureha Chemical Industry Co., Ltd.

  公开号：EP1389460A1

  公开（公告）日：2004-02-18

  To provide novel nitrogen-containing compounds having antagonism to CXCR4 and remedies for disease, such as rheumatism, cancer metastasis, etc., based on the CXCR4 antagonism. Nitrogen-containing compounds represented by the following general formula and CXCR4 antagonists containing these compounds as an active ingredient can be provided. The above compounds are typified by nitrogen-containing compounds represented by the following general formula (I) wherein A1 and A2 represent each a guanidino group or a group represented by the following general formula (ia) (wherein A3 represents a monocyclic or polycyclic heterocyclic aromatic ring group having 1 or 2 hetero atoms; B1 represents a single bond or alkylene group; and R1 represents hydrogen or alkyl group; W represents alkylene group having 2 to 3 carbon atoms, cyclic alkylene group having 5 to 10 carbon atoms, aromatic ring having 6 to 10 carbon atoms or heterocyclic aromatic ring having 5 to 10 carbon atoms; y is - (C=O) -; x is -C (=O) -NH-; n1 is an integer of 1 or 2; n2 is an integer of 2 or 3; and D is selected from among various substituents:

  为基于CXCR4拮抗作用提供对CXCR4具有拮抗作用的新型含氮化合物和治疗风湿病、癌症转移等疾病的药物。以下是一般式代表的含氮化合物和以这些化合物为活性成分的CXCR4拮抗剂。上述化合物以以下一般式（I）代表的含氮化合物为代表，其中A1和A2分别代表鸟氨基基团或由以下一般式（ia）代表的基团（其中A3代表具有1个或2个杂原子的单环或多环杂环芳香环基团；B1代表单键或烷基基团；R1代表氢或烷基基团；W代表具有2至3个碳原子的烷基基团、具有5至10个碳原子的环烷基团、具有6至10个碳原子的芳香环或具有5至10个碳原子的杂环芳香环；y为-(C=O)-；x为-C(=O)-NH-；n1为1或2的整数；n2为2或3的整数；D从各种取代基中选择）。
• Hetaroyl cyclohexanedione derivatives with herbicidal effect
  申请人：BASF Aktiengesellschaft

  公开号：US06479436B1

  公开（公告）日：2002-11-12

  Hetaroyl derivatives of the formula I where: R1 and R2 are each hydrogen, nitro, halogen, cyano, thiocyanato, hydroxyl, mercapto, C1-C6-alkyl, C1-C6-alkoxy, C1-C6-alkylthio, C1-C6-alkylsulfinyl, C1-C6-alkylsulfonyl or C1-C6-alkoxysulfonyl, where the last 6 radicals may be substituted and/or functionalized; phenyl, phenoxy, phenylthio, phenylsulfinyl or phenylsulfonyl, where the last 5 radicals may be substituted; Z is an unsubstituted or substituted four-membered unsaturated, partially or fully saturated chain consisting of three carbons and one nitrogen; Q is unsubstituted or substituted cyclohexane-1,3-dione linked at position 2; and their agriculturally useful salts. A process for preparing the hetaroyl derivatives, compositions comprising them, and the use of these derivatives or these compositions comprising them for controlling undesirable plants.

  公式I的Hetaroyl衍生物，其中：R1和R2分别是氢、硝基、卤素、氰基、硫氰酸基、羟基、巯基、C1-C6-烷基、C1-C6-烷氧基、C1-C6-烷硫基、C1-C6-烷基亚硫酰基、C1-C6-烷基磺酰基或C1-C6-烷氧基磺酰基，其中最后6个基团可以被取代和/或官能化；苯基、苯氧基、苯基硫基、苯基亚硫酰基或苯基磺酰基，其中最后5个基团可以被取代；Z是未取代或取代的四元不饱和、部分或完全饱和链，由三个碳和一个氮组成；Q是未取代或取代的环己烷-1,3-二酮，连接在位置2；以及它们的在农业上有用的盐。制备Hetaroyl衍生物的方法，包含它们的组合物，以及使用这些衍生物或包含它们的组合物来控制不良植物。
• M3 muscarinic acetylchoine receptor antagonists
  申请人：Busch-Petersen Jakob

  公开号：US20070185148A1

  公开（公告）日：2007-08-09

  Muscarinic Acetylcholine receptor antagonists and methods of using them are provided.

  提供了肌碱乙酰胆碱受体拮抗剂及其使用方法。
• 4-Hetaroylpyrazol derivatives and the use thereof as herbicides
  申请人：BASF Aktiengesellschaft

  公开号：US06262074B1

  公开（公告）日：2001-07-17

  Hetaroyl derivatives of the formula I where: R1 and R2 are each hydrogen, nitro, halogen, cyano, thiocyanato, hydroxyl, mercapto, C1-C6-alkyl, C1-C6-alkoxy, C1-C6-alkylthio, C1-C6-alkylsulfinyl, C1-C6-alkylsulfonyl or C1-C6-alkoxysulfonyl, where the last 6 radicals may be substituted and/or functionalized; phenyl, phenoxy, phenylthio, phenylsulfinyl or phenylsulfonyl, where the last 5 radicals may be substituted; Z is an unsubstituted or substituted four-membered unsaturated, partially or fully saturated chain consisting of three carbons and one nitrogen; Q is unsubstituted or substituted hydroxypyrazole linked at position 4; and their agriculturally useful salts. A process for preparing the hetaroyl derivatives, compositions comprising them, and the use of these derivatives or these compositions comprising them for controlling undesirable plants.

  公式I的Hetaroyl衍生物，其中：R1和R2分别为氢、硝基、卤素、氰基、硫氰酸基、羟基、巯基、C1-C6-烷基、C1-C6-烷氧基、C1-C6-烷基硫基、C1-C6-烷基亚硫酰基、C1-C6-烷基磺酰基或C1-C6-烷氧基磺酰基，最后6个基团可能被取代和/或官能化；苯基、苯氧基、苯硫基、苯亚硫酰基或苯磺酰基，最后5个基团可能被取代；Z是未取代或取代的四元不饱和、部分饱和或完全饱和链，由三个碳和一个氮组成；Q是未取代或取代的连接在位置4的羟基吡唑；及其农业上有用的盐。一种制备Hetaroyl衍生物的方法，包含它们的组合物，以及使用这些衍生物或包含它们的组合物来控制不良植物。