4-氯-5,7-二甲基喹啉 | 352205-97-1

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 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-5,7-二甲基喹啉
• 英文名称: 4-chloro-5,7-dimethyl-quinoline
• 英文别名: 4-Chlor-5,7-dimethyl-chinolin；4-Chloro-5,7-dimethylquinoline
• CAS: 352205-97-1
• 化学式: C₁₁H₁₀ClN
• 分子量: 191.66
• InChiKey: DEARECYODQYXRO-UHFFFAOYSA-N

物化性质

• 熔点：
  59 °C
• 沸点：
  294.2±35.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S39
• 危险类别码：
  R22,R41
• WGK Germany：
  3
• 海关编码：
  2933499090

反应信息

• 作为产物：
  描述：

  1-氨基-3,5-二甲苯 、 乙氧基甲叉丙二酸二乙酯 生成 4-氯-5,7-二甲基喹啉
  参考文献：
  名称：

  氨基烷基酚作为抗疟药（杂环氨基）-α-氨基-邻甲酚；迷彩的合成。

  摘要：

  DOI：

  10.1021/ja01184a023

文献信息

• Chemical compounds
  申请人：——

  公开号：US20030105129A1

  公开（公告）日：2003-06-05

  A compound of formula (I) 1 or a salt, ester, amide or prodrug thereof; R 5 is an optionally substituted 6 -membered aromatic ring containing at least one nitrogen atom, and R 1 , R 2 , R 3 , R 4 are independently selected from halogeno, cyano, nitro, C 1-3 alkysulphonyl, —N(OH)R 7 — (wherein R 7 is hydrogen, or C 1-3 alkyl), or R 9 X 1 — (wherein X 1 represents a direct bond, —O—, —CH 2 —, —OC(O)—, —C(O)—, —S—, —SO—, —SO 2 —, —NR 10 C(O)—, —C(O)NR 11 —, —SO 2 NR 12 —, —NR 13 SO 2 — or —NR 14 — (wherein R 10 , R 11 , R 12 , R 13 and R 14 each independently represents hydrogen, C 1-3 alkyl or C 1-3 alkoxyC 2-3 alkyl), and R 9 is hydrogen, optionally substituted hydrocarbyl, optionally substituted heterocyclyl or optionally substituted alkoxy); provided that at least one of R 2 or R 3 is other than hydrogen. These compounds are inhibitors of aurora 2 kinase. Thus they, and pharmaceutical compositions containing them, are useful in methods of treatment of proliferative disease such as cancer and in particular cancers such as colorectal or breast cancer where aurora 2 is upregulated.

  化合物的公式（I）1或其盐、酯、酰胺或前药；其中R5是一个含有至少一个氮原子的可选取代的6成员芳香环，而R1、R2、R3、R4是独立选择的卤素基、氰基、硝基、C1-3烷基磺酰基、-N（OH）R7-（其中R7是氢或C1-3烷基）或R9X1-（其中X1表示直接键，-O-，-CH2-，-OC（O）-，-C（O）-，-S-，-SO-，-SO2-，-NR10C（O）-，-C（O）NR11-，-SO2NR12-，-NR13SO2-或-NR14-（其中R10、R11、R12、R13和R14各自独立地表示氢、C1-3烷基或C1-3烷氧基C2-3烷基），而R9是氢、可选取代的烃基、可选取代的杂环基或可选取代的烷氧基；前提是R2或R3至少有一个不是氢。这些化合物是aurora 2激酶的抑制剂。因此，它们及包含它们的药物组成物在治疗增殖性疾病如癌症以及特别是aurora 2上调的结直肠癌或乳腺癌的方法中是有用的。
• QUINOLINE DERIVATIVES AND THEIR USE AS AURORA 2 KINASE INHIBITORS
  申请人：AstraZeneca AB

  公开号：EP1294709A2

  公开（公告）日：2003-03-26
• US6977259B2
  申请人：——

  公开号：US6977259B2

  公开（公告）日：2005-12-20
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2001055116A2

  公开（公告）日：2001-08-02

  A compound of formula (I) or a salt, ester, amide or prodrug thereof; R5 is an optionally substituted 6-membered aromatic ring containing at least one nitrogen atom, and R?1, R2, R3, R4¿ are independently selected from halogeno, cyano, nitro, C¿1-3? alkylsulphanyl, -N(OH)R?7¿- (wherein R7 is hydrogen, or C¿1-3? alkyl), or R?9X1¿- (wherein X1 represents a direct bond, -O-, -CH¿2?-, -OC(O)-, -C(O)-, -S-, -SO-, -SO2-, -NR?10¿C(O)-, -C(O)NR11-, -SO¿2?NR?12-, -NR13SO¿2- or -NR14- (wherein R?10, R11, R12, R13 and R14¿ each independently represents hydrogen, C¿1-3?alkyl or C1-3alkoxyC2-3alkyl), and R?9¿ is hydrogen, optionally substituted hydrocarbyl, optionally substituted heterocyclyl or optionally substituted alkoxy; provided that at least one of R2 or R3 is other than hydrogen. These compounds are inhibitors of aurora 2 kinase. Thus they, and pharmaceutical compositions containing them are useful in methods of treatment of proliferative disease such as cancer and in particular cancers such as colorectal or breast cancer where aurora 2 is upregulated.