4-氯-6,7-二甲氧基-3-喹啉羧酸 | 305801-19-8

• 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: 4-氯-6,7-二甲氧基-3-喹啉羧酸
• 英文名称: 4-chloro-6,7-dimethoxyquinoline-3-carboxylic acid
• 英文别名: 4-chloro-6,7-dimethoxy-3-quinolinecarboxylic acid
• CAS: 305801-19-8
• 化学式: C₁₂H₁₀ClNO₄
• 分子量: 267.669
• InChiKey: UTTQAMSJDMUWLB-UHFFFAOYSA-N

物化性质

• 沸点：
  408.5±40.0 °C(Predicted)
• 密度：
  1.414±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  68.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-氯-6,7-二甲氧基-3-喹啉羧酸 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 C₁₂H₉Cl₂NO₃
  参考文献：
  名称：

  Identification of 3-amido-4-anilinoquinolines as potent and selective inhibitors of CSF-1R kinase

  摘要：

  3-Amido-4-anilinoquinolines are potent and highly selective inhibitors of CSF-1R. Their synthesis and SAR is reported, along with initial efforts to optimize the physical properties and PK through modi. cations at the quinoline 6- and 7-positions. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.046
• 作为产物：
  描述：

  4-氯-6,7-二甲氧基喹啉-3-羧酸乙酯 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以95%的产率得到4-氯-6,7-二甲氧基-3-喹啉羧酸
  参考文献：
  名称：

  [EN] ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 INHIBITORS,COMPOSITIONS AND USES THEREOF
  [FR] INHIBITEURS D'ECTONUCLÉOTIDE PYROPHOSPHATASE-PHOSPHODIESTÉRASE 1, COMPOSITIONS ET UTILISATIONS DE CEUX-CI

  摘要：

  本发明涉及式（I）化合物，使用这些化合物作为ENPP1抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗癌症和传染性疾病方面是有用的。

  公开号：

  WO2021203772A1

文献信息

• Quinoline derivatives as inhibitors of MEK enzymes
  申请人：AstraZeneca AB

  公开号：US06638945B1

  公开（公告）日：2003-10-28

  A compound formula (I) or a pharmaceutically acceptable salt thereof, for use in the manufacture of a medicament for inhibition of MEK in a mammal with a MEK mediated disease wherein: n is 0-1; Y is selected from —NH—, —O—, —S—, or —NR7— where R7 is alkyl of 1-6 carbon atoms R6 is cycloalkyl of 3 to 7 carbon atoms, which may be optionally substituted with one or more alkyl of 1 to 6 carbon atom groups; or is a pyridinyl, pyrimidinyl, or phenyl ring; wherein the pyridinyl, pyrimidinyl, or phenyl ring may be substituted with one, two or three specified substitutents; or R6 is a group —R8—X—R9 were R8 is a divalent cycloalkyl of 3 to 7 carbon atoms, which may be optionally further substituted with one or more alkyl of 1 to 6 carbon atom groups; or is an optionally pyridinyl, pyrimidinyl, or phenyl ring; wherein the pyridinyl, pyrimidinyl, or phenyl ring may be optionally further substituted with one or more specified substitutents, X is selected from CH2, —NH—, —O—, —S— or —NR5— where R5 is alkyl of 1-6 carbon atoms, and R9 is a group (CH2)mR10 where m is 0, or an integer of from 1-3 and R10 is an optionally substituted aryl or optionally substituted cycloalkyl ring of up to 10 carbon atoms, or R10 is a heterocyclic ring containing 1 or 2 oxygen atoms and optionally one or more substitutents; and R1, R2, R3 and R4 are each independently selected from hydrogen or various specified organic groups. Novel compounds are also described and claimed.

  一种化合物配方（I）或其药学上可接受的盐，用于制造用于抑制哺乳动物中MEK介导疾病的药物，其中：n为0-1；Y从—NH—，—O—，—S—或—NR7—中选择，其中R7为1-6个碳原子的烷基，R6为3到7个碳原子的环烷基，可选地用一个或多个1到6个碳原子的烷基取代；或为吡啶基，嘧啶基或苯基环；其中吡啶基，嘧啶基或苯基环可用一个，两个或三个指定的取代基取代；或R6为一组—R8—X—R9，其中R8为3到7个碳原子的二价环烷基，可选地进一步用一个或多个1到6个碳原子的烷基取代；或为可选的吡啶基，嘧啶基或苯基环；其中吡啶基，嘧啶基或苯基环可选地进一步用一个或多个指定的取代基取代，X从CH2，—NH—，—O—，—S—或—NR5—中选择，其中R5为1-6个碳原子的烷基，R9为(CH2)mR10，其中m为0，或从1到3的整数，R10为最多含有10个碳原子的可选取代芳基或可选取代的环烷基环，或R10为含有1或2个氧原子和可选地一个或多个取代基的杂环；R1，R2，R3和R4分别独立地选择自氢或各种指定的有机基。还描述和声明了新化合物。
• Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics
  申请人：E.R. SQUIBB & SONS, INC.

  公开号：EP0420069A2

  公开（公告）日：1991-04-03

  Antibacterial activity has been found in compounds of the formula and pharmaceutically acceptable salts thereof, wherein: A is a bond or alkylene; Q completes a 5- or 6-membered saturated or aromatic heterocyclic ring optionally having an oxo substituent and and comprising up to two heteroatoms independently selected from N, NRs, S, O. Y is hydrogen, amino, hydroxy, carboxyl (provided that when Y is carboxyl the heterocyclic ring is not part of a quinoxaline or quinoline group), halogen, carboxamide, or nitrile; M⊕ is hydrogen or a cation; and the remaining symbols are as defined in the specification.

  式中的化合物及其药物可接受盐具有抗菌活性。 及其药学上可接受的盐，其中 A 是键或亚烷基； Q 完成一个 5 或 6 元饱和或芳香杂环，任选具有一个氧代基，并包含最多两个独立选自 N、NRs、S、O 的杂原子。 Y 是氢、氨基、羟基、羧基（条件是当 Y 是羧基时，杂环不是喹喔啉或喹啉基团的一部分）、卤素、羧酰胺或腈； M⊕ 是氢或阳离子；其余符号如说明书中所定义。
• QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES
  申请人：AstraZeneca AB

  公开号：EP1178965B1

  公开（公告）日：2003-09-24
• US6638945B1
  申请人：——

  公开号：US6638945B1

  公开（公告）日：2003-10-28
• [EN] QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES<br/>[FR] DERIVES DE LA QUINOLEINE UTILISES COMME INHIBITEURS DES ENZYMES MEK
  申请人：ASTRAZENECA AB

  公开号：WO2000068199A1

  公开（公告）日：2000-11-16

  A compound of formula (I) or a pharmaceutically acceptable salt thereof, for use in the manufacture of a medicament for inhibition of MEK in a mammal with a MEK mediated disease wherein: n is 0-1; Y is selected from -NH-, -O-, -S-, or -NR7- where R7 is alkyl of 1-6 carbon atoms R6 is cycloalkyl of 3 to 7 carbon atoms, which may be optionally substituted with one or more alkyl of 1 to 6 carbon atom groups; or is a pyridinyl, pyrimidinyl, or phenyl ring; wherein the pyridinyl, pyrimidinyl, or phenyl ring may be substituted with one, two or three specified substituents; or R6 is a group -R8-X-R9 where R8 is a divalent cycloalkyl of 3 to 7 carbon atoms, which may be optionally further substituted with one or more alkyl of 1 to 6 carbon atom groups; or is an optionally pyridinyl, pyrimidinyl, or phenyl ring; wherein the pyridinyl, pyrimidinyl, or phenyl ring may be optionally further substituted with one or more specified substitutents, X is selected from CH¿2?, -NH-, -O-, -S- or -NR?5¿- where R5 is alkyl of 1-6 carbon atoms, and R9 is a group (CH¿2)mR?10 where m is 0, or an integer of from 1-3 and R10 is an optionally substituted aryl or optionally substituted cycloalkyl ring of up to 10 carbon atoms, or R10 is a heterocyclic ring containing 1 or 2 oxygen atoms and optionally one or more substitutents; and R?1, R2, R3 and R4¿ are each independently selected from hydrogen or various specified organic groups. Novel compounds are also described and claimed.