ethyl 8-methylquinoline-6-carboxylate | 916812-13-0

• 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: ethyl 8-methylquinoline-6-carboxylate
• 英文别名: ethyl 8-methyl-6-quinolinecarboxylate
• CAS: 916812-13-0
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: ZWDXVALVNSTQLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 8-methylquinoline-6-carboxylate 在 lithium aluminium tetrahydride 、 水 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 1.0h， 以66%的产率得到(8-methyl-6-quinolinyl)methanol
  参考文献：
  名称：

  WO2006/132739

  摘要：

  公开号：
• 作为产物：
  描述：

  乙醇 、 4-氨基-3-甲基苯甲酸 、 甘油 在 硫酸 、 sodium 3-nitrobenzenesulfonate 、 氨 作用下， 以 水 为溶剂， 反应 4.0h， 以59%的产率得到ethyl 8-methylquinoline-6-carboxylate
  参考文献：
  名称：

  WO2006/132739

  摘要：

  公开号：

文献信息

• EP1879563A4
  申请人：——

  公开号：EP1879563A4

  公开（公告）日：2008-07-16
• NOVEL CHEMICAL COMPOUNDS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1879563A2

  公开（公告）日：2008-01-23
• Novel Chemical Compounds
  申请人：Duffy Kevin

  公开号：US20080214455A1

  公开（公告）日：2008-09-04

  This invention relates to newly identified compounds for inhibiting hYAK3 proteins and methods for treating diseases associated with hYAK3 activity.
• [EN] NOVEL CHEMICAL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES CHIMIQUES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2006132739A2

  公开（公告）日：2006-12-14

  [EN] This invention relates to newly identified compounds for inhibiting hYAK3 proteins and methods for treating diseases associated with hYAK3 activity.
  [FR] La présente invention a trait à des composés chimiques récemment identifiés pour l'inhibition des protéines hYAK3 et à des procédés pour le traitement de maladies associées à l'activité de hYAK3.
• [EN] NOVEL ACC INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE L'ACC
  申请人：[en]PFIZER INC.

  公开号：WO2024023727A1

  公开（公告）日：2024-02-01

  A compound having the structures: Formulae (Ia) or (Ib) or a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable solvate of said compound or pharmaceutically acceptable salt, wherein; R selected from the group consisting of H, C1-C6alkyl, C1-C6alkoxy and -(CH2)m-W, where W is C3-C8cycloalkyl, bicycloalkyl, bridged bicycloalkyl, phenyl,, 5- or 6-membered heteroaryl or heterocyclic containing one, two or three heteroatoms selected from the group consisting of N, S and O atoms; wherein each of said alkyl, cycloalkyl, alkoxy, heterocyclic, phenyl, naphthyl or heteroaryl may be unsubstituted or substituted by phenyl, halo, cyano, deuterium, hydroxy, C1-C6alkyl, C1-C6alkoxy, -SO2-R', - CONR'R", NR'COR", -NR'CONR'R", -NR'CO2R", -(CH2)n-SO2-R', -NHSO2-R', -NR"SO2-R', - SO2NR'R", NR'R" or SR' where R' and R'' are independently H, C1-C6alkyl or C3-C8cycloalkyl; R1selected from the group consisting of phenyl, naphthyl, 5- or 6-membered heteroaryl or heterocyclic containing one, two, three or four heteroatoms selected from the group consisting of N, S and O atoms; and, a 9- or 10-membered bicyclic aryl, heteroaryl or heterocyclic containing one, two or three heteroatoms selected from the group consisting of N, S and O atoms; wherein each of said phenyl, naphthyl, aryl, heterocyclic, or heteroaryl may be unsubstituted or substituted by halo, cyano, deuterium, hydroxy, C1-C6alkyl, C1-C6alkoxy, phenyl, -SO2-R', -CONR'R", NR'COR", -NR'CONR'R", -NR'CO2R", -(CH2)n-SO2-R', -NHSO2-R', -NR"SO2-R, -SO2NR'R", P(O)R'R", Formula (Ic), or NR'R"' or SR' where R' and R'' are independently H, C1-C6alkyl or C3-C8cycloalkyl; and,mandnare independently 0, 1, 2 or 3. The invention also relates to pharmaceutically acceptable salts of these compounds and to pharmaceutically acceptable solvates thereof; to compositions containing such compounds; and to the uses of such compounds in the treatment of various diseases, particularly acne.