N-(2-chloro-6-methylphenyl)-N'-(2-hydroxyethyl)-N''-[6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-yl]guanidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(2-chloro-6-methylphenyl)-N'-(2-hydroxyethyl)-N''-[6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-yl]guanidine
• 英文别名: 1-(2-chloro-6-methylphenyl)-2-(2-hydroxyethyl)-3-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]guanidine
• 化学式: C₂₆H₃₃ClN₆O₃
• 分子量: 513.0
• InChiKey: PUTFKPOVLKZJDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  、 1-(2-chloro-6-methylphenyl)-3-[6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-yl]thiourea 、 C.I.酸性橙108 、 氯仿 、 在 silica 、 二氯甲烷 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以There was thus obtained the title compound (0.128 g)的产率得到N-(2-chloro-6-methylphenyl)-N'-(2-hydroxyethyl)-N''-[6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-yl]guanidine
  参考文献：
  名称：

  Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases

  摘要：

  本发明涉及公式（I）的喹唑啉和喹啉衍生物，其中Q1包括一种喹唑啉或喹啉环，可选地被取代为卤素，三氟甲基和氰基等基团，或者是公式Q3-X1-中的基团：其中X1包括直接键和O，Q3包括芳香族，芳香族-（1-6C）烷基，杂环芳基和杂环芳基-（1-6C）烷基；R2、R3和R5中的每一个都是氢或（1-6C）烷基，前提是在R2和R4的基团中的一部分在一起，R3和R4在一起，R5和R4在一起形成键；R6是可选取代的基团，选自（2-6C）烯基，（2-6C）炔基，（3-7C）环烷基和（3-7C）环烯基，或者R6是取代的（1-6C）烷基；Q2包括芳香族和芳香族-（1-3C）烷基，或其药学上可接受的盐；其制备方法，含有它们的制药组合物以及它们在制造用于预防或治疗温血动物的T细胞介导的疾病或医疗情况的药物中的使用。

  公开号：

  US07001904B1

文献信息

• GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES
  申请人：AstraZeneca AB

  公开号：EP1296973A1

  公开（公告）日：2003-04-02
• US7001904B1
  申请人：——

  公开号：US7001904B1

  公开（公告）日：2006-02-21
• [EN] GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES<br/>[FR] DERIVES GUANIDINIQUES DE LA QUINAZOLINE ET DE LA QUINOLEINE UTILISES DANS LE TRAITEMENT DE MALADIES AUTO-IMMUNES
  申请人：ASTRAZENECA AB

  公开号：WO2002000644A1

  公开（公告）日：2002-01-03

  The invention concerns quinazoline and quinoline derivatives of Formula (I) wherein Q1 includes a quinazoline or quinoline ring optionally substituted with a group such as halogeno, trifluoromethyl and cyano, or a group of the formula: Q3 - X1 - wherein X1 includes a direct bond and O and Q3 includes aryl, aryl-(1-6C)alkyl, heterocyclyl and heterocyclyl-(1-6C)alkyl; each of R?2, R3 and R5¿ is hydrogen or (1-6C)alkyl, provides that one of the pairs of groups R?2 and R4¿ together, R?3 and R4¿ together and R?5 and R4¿ together forms a bond; R6 is an optionally substituted group selected from (2-6C) alkenyl, (2-6C) alkynyl, (3-7C)cycloalkyl and (3-7C) cycloalkenyl, or R6 is a substituted (1-6C) alkyl group; and Q2 includes aryl and aryl-(1-3C)alkyl or a pharmaceutically-acceptable salt thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of T cell mediated diseases or medical conditions in a warm-blooded animal.
• Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases
  申请人：AstraZeneca AB

  公开号：US07001904B1

  公开（公告）日：2006-02-21

  The invention concerns quinazoline and quinoline derivatives of Formula (I) wherein Q1 includes a quinazoline or quinoline ring optionally substituted with a group such as halogeno, trifluoromethyl and cyano, or a group of the formula: Q3—X1— wherein X1 includes a direct bond and O and Q3 includes aryl, aryl-(1-6C)alkyl, heterocyclyl and heterocyclyl-(1-6C)alkyl; each of R2, R3 and R5 is hydrogen or (1-6C)alkyl, provides that one of the parts of groups R2 and R4 together, R3 and R4 together and R5 and R4 together forms a bond; R6 is an optionally substituted group selected from (2-6C) alkenyl, (2-6C) alkynyl, (3-7C)cycloalkyl and (3-7C) cycloalkenyl, or R6 is a substituted (1-6C) alkyl group; and Q2 includes aryl and aryl-(1-3C)alkyl or a pharmaceutically-acceptable salt thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of T cell mediated diseases or medical conditions in a warm-blooded animal.

  本发明涉及公式（I）的喹唑啉和喹啉衍生物，其中Q1包括一种喹唑啉或喹啉环，可选地被取代为卤素，三氟甲基和氰基等基团，或者是公式Q3-X1-中的基团：其中X1包括直接键和O，Q3包括芳香族，芳香族-（1-6C）烷基，杂环芳基和杂环芳基-（1-6C）烷基；R2、R3和R5中的每一个都是氢或（1-6C）烷基，前提是在R2和R4的基团中的一部分在一起，R3和R4在一起，R5和R4在一起形成键；R6是可选取代的基团，选自（2-6C）烯基，（2-6C）炔基，（3-7C）环烷基和（3-7C）环烯基，或者R6是取代的（1-6C）烷基；Q2包括芳香族和芳香族-（1-3C）烷基，或其药学上可接受的盐；其制备方法，含有它们的制药组合物以及它们在制造用于预防或治疗温血动物的T细胞介导的疾病或医疗情况的药物中的使用。