7-Chloro-6-fluoro-4-oxo-1-(2-phenylethyl)quinoline-3-carboxylic acid

• 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: 7-Chloro-6-fluoro-4-oxo-1-(2-phenylethyl)quinoline-3-carboxylic acid
• 化学式: C₁₇H₁₈BrN₆Pol
• 分子量: 345.7
• InChiKey: PMSPAAXAKJBCJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 7-chloro-6-fluoro-1-phenethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 在 盐酸 、 水 作用下， 反应 3.67h， 以98%的产率得到7-Chloro-6-fluoro-4-oxo-1-(2-phenylethyl)quinoline-3-carboxylic acid
  参考文献：
  名称：

  [EN] SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS, THEIR DERIVATIVES, SITE OF ACTION, AND USES THEREOF
  [FR] ACIDES QUINOLONE CARBOXYLIQUES SUBSTITUES, DERIVES DE CES DERNIERS, SITE D'ACTION ET UTILISATIONS DE CES DERNIERS

  摘要：

  公开号：

  WO2003097564A3

文献信息

• Triazoles as farnesyl transferase inhibitors
  申请人：Saha Kumar Ashis

  公开号：US20050234117A1

  公开（公告）日：2005-10-20

  a prodrug, N-oxide, addition salt, quaternary amine or stereochemically isomeric form thereof, wherein L 1 and L 2 are R 1 —Y— wherein each (R 1 —Y)— substituent is defined independently of the other; Y is C 1-4 alkanediyl, C 2-4 alkenediyl, C 2-4 alkynediyl, C(═O), or a direct bond; R 1 is hydrogen, cyano, aryl or a substituted or unsubstituted C 1-14 heterocycle; =Z 1 -Z 2 =Z 3 - represents a radical of formula ═N—N═CH— (a- 1 ), ═N—CH═N— (a- 2 ), ═CH—N═N— (a- 3 ); X is SO 2 , (CH 2 ) n wherein n is 1 to 4, C(═O), C(═S), or a direct bond; R 2 is aryl, C 3-7 cycloalkyl, C 3-7 cycloalkyl substituted with one or more substituents independently selected from hydroxy, aryl, aryloxy, a substituted or unsubstituted C 1-14 heterocycle, C 3-7 cycloalkyl, hydroxycarbonyl, C 1-6 alkyloxycarbonyl, hydroxyC 1-6 alkyl, hydroxyC 1-6 alkyloxy, hydroxyC 1-6 alkylthio and arylC 1-6 alkylthio, C 1-12 alkyl or C 1-12 alkyl substituted with one or more substituents independently selected from hydroxy, aryl, aryloxy, a substituted or unsubstituted C 1-14 heterocycle, C 3-7 cycloalkyl, hydroxycarbonyl, C 1-6 alkyloxycarbonyl, hydroxyC 1-6 alkyl, hydroxyC 1-6 alkyloxy, hydroxyC 1-6 alkylthio and arylC 1-6 alkylthio; R 3 is aryl, —NR 5 R 6 , a substituted or unsubstituted C 1-14 heterocycle, or C 2-4 alkenediyl substituted with a substituted or unsubstituted C 1-14 heterocycle or aryl; R 4 is hydrogen, aryl, C 3-7 cycloalkyl, C 1-6 alkyl or C 1-6 alkyl substituted with C 3-7 cycloalkyl, hydroxycarbonyl, C 1-4 alkyloxycarbonyl or aryl; R 5 and R 6 are each independently selected from hydrogen, a substituted or unsubstituted C 1-14 heterocycle, aryl, C 1-12 alkyl and C 1-12 alkyl substituted with one or more substituents selected from hydroxy, aryl, aryloxy or a substituted or unsubstituted C 1-14 heterocycle.

  一种前药、N-氧化物、加成盐、季铵盐或其立体化学异构体形式，其中L1和L2为R1—Y—，其中每个(R1—Y)—取代基独立于另一个；Y为C1-4烷二基、C2-4烯二基、C2-4炔二基、C(═O)或直接键；R1为氢、氰基、芳基或取代或未取代的C1-14杂环；=Z1-Z2=Z3-代表公式═N—N═CH—（a-1）、═N—CH═N—（a-2）、═CH—N═N—（a-3）的基团；X为SO2、(CH2)n，其中n为1至4，C(═O)、C(═S)或直接键；R2为芳基、C3-7环烷基、C3-7环烷基，其上独立地选择一个或多个取代基，所选取代基来自氢氧基、芳基、芳氧基、取代或未取代的C1-14杂环、C3-7环烷基、羟基羰基、C1-6烷氧羰基、羟基C1-6烷基、羟基C1-6烷氧基、羟基C1-6烷硫基和芳基C1-6烷硫基，C1-12烷基或C1-12烷基，其上独立地选择一个或多个取代基，所选取代基来自氢氧基、芳基、芳氧基、取代或未取代的C1-14杂环、C3-7环烷基、羟基羰基、C1-6烷氧羰基、羟基C1-6烷基、羟基C1-6烷氧基、羟基C1-6烷硫基和芳基C1-6烷硫基；R3为芳基、—NR5R6、取代或未取代的C1-14杂环，或C2-4烯二基，其上取代一个取代或未取代的C1-14杂环或芳基；R4为氢、芳基、C3-7环烷基、C1-6烷基或C1-6烷基取代为C3-7环烷基、羟基羰基、C1-4烷氧羰基或芳基；R5和R6各自独立地选择自氢、取代或未取代的C1-14杂环、芳基、C1-12烷基和C1-12烷基，其上选择一个或多个取代基，所选取代基来自氢氧基、芳基、芳氧基或取代或未取代的C1-14杂环。
• Substituted quinolone carboxylic acids, their derivatives, site of action, and uses thereof
  申请人：Johnstone B.C. Timothy

  公开号：US20060178516A1

  公开（公告）日：2006-08-10

  Substituted quinolone carboxylic acids and their derivatives are described. These compounds modulate the effect of γ-aminobutyric acid (GABA) via a novel site on the GABA A receptor complex in a therapeutically relevant fashion and may be used to ameliorate CNS disorders amenable to modulation of the GABA A receptor complex.

  介绍了取代的喹诺酮羧酸及其衍生物。这些化合物通过γ-氨基丁酸（GABA）上的一个新位点调节γ-氨基丁酸（GABA）的作用。 A 受体复合物上的一个新位点以治疗相关的方式调节γ-氨基丁酸（GABA）的作用，可用于改善可通过调节 GABA A 受体复合物的调节作用。
• SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS, THEIR DERIVATIVES, SITE OF ACTION, AND USES THEREOF
  申请人：The Regents of the University of California

  公开号：EP1503759B1

  公开（公告）日：2008-12-17
• Substituted Quinolone Carboxylic Acids, Their Derivatives, Site of Action, And Uses Thereof
  申请人：Johnstone Timothy B.C.

  公开号：US20080176897A1

  公开（公告）日：2008-07-24

  Substituted quinolone carboxylic acids and their derivatives are described. These compounds modulate the effect of γ-aminobutyric acid (GABA) via a novel site on the GABA A receptor complex in a therapeutically relevant fashion and may be used to ameliorate CNS disorders amenable to modulation of the GABA A receptor complex.
• US7355047B2
  申请人：——

  公开号：US7355047B2

  公开（公告）日：2008-04-08