5-chloro-N-(1-(2-[(methylsulfonyl)amino]ethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-1H-indole-2-carboxamide | 599192-95-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-chloro-N-(1-(2-[(methylsulfonyl)amino]ethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-1H-indole-2-carboxamide
• 英文别名: 5-chloro-N-[1-[2-(methanesulfonamido)ethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
• CAS: 599192-95-7
• 化学式: C₂₁H₂₁ClN₄O₄S
• 分子量: 460.941
• InChiKey: UKCCBSDLBJFGDU-UHFFFAOYSA-N

物化性质

• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  120
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-[1-(2-aminoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-5-chloro-1H-indole-2-carboxamide trifluoroacetate 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以22%的产率得到5-chloro-N-(1-(2-[(methylsulfonyl)amino]ethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-1H-indole-2-carboxamide
  参考文献：
  名称：

  [EN] INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS
  [FR] COMPOSES CHIMIQUES

  摘要：

  公开号：

  WO2003074513A3

文献信息

• Chemical compounds
  申请人：Birch Martin Alan

  公开号：US20050131016A1

  公开（公告）日：2005-06-16

  Heterocyclic amides of formula (1) wherein: is a single or double bond; A is phenylene or heteroarylene; m is 0, 1 or 2; n is 0, 1 or 2; R 1 is selected from for example halo, nitro, cyano, hydroxy, carboxy; R 2 is hydrogen, hydroxy or carboxy; R 3 is selected from for example hydrogen, hydroxy, aryl, heterocyclyl and C 1-4 alkyl(optionally substituted by 1 or 2 R 8 groups); R 4 is independently selected from for example hydrogen, halo, nitro, cyano, hydroxy, C 1-4 alkyl, and C 1-4 alkanoyl; R 8 is selected from for example hydroxy, —COCOOR 9 , —C(O)N(R 9 )(R 10 ), —NHC(O)R 9 , (R 9 )(R 10 )N— and —COOR 9 ; R 9 and R 10 are selected from for example hydrogen, hydroxy, C 1-4 alkyl (optionally substituted by 1 or 2 R 13 ); R 13 is selected from hydroxy, halo, trihalomethyl and C 1-4 alkoxy; or a pharmaceutically acceptable salt or pro-drug thereof; possess glycogen phosphorylase inhibitory activity and accordingly have value in the treatment of disease states associated with increased glycogen phosphorylase activity. Processes for the manufacture of said heterocyclic amide derivatives and pharmaceutical compositions containing them are described.

  化学式（1）中的杂环酰胺，其中：为单键或双键；A为苯基或杂环基；m为0、1或2；n为0、1或2；R1选自例如卤素、硝基、氰基、羟基、羧基；R2为氢、羟基或羧基；R3选自例如氢、羟基、芳基、杂环基和C1-4烷基（可选地被1或2个R8基取代）；R4独立选自例如氢、卤素、硝基、氰基、羟基、C1-4烷基和C1-4烷酰基；R8选自例如羟基、—COCOOR9、—C（O）N（R9）（R10）、—NHC（O）R9、（R9）（R10）N—和—COOR9；R9和R10选自例如氢、羟基、C1-4烷基（可选地被1或2个R13取代）；R13选自羟基、卤素、三卤甲基和C1-4烷氧基；或其药学上可接受的盐或前药；具有糖原磷酸化酶抑制活性，因此对治疗与增加的糖原磷酸化酶活性相关的疾病状态具有价值。描述了制备所述杂环酰胺衍生物的工艺和含有它们的药物组成物。
• INDOLE AMIDE DERIVATIVES AND THEIR USE AS GLYCOGEN PHOSPHORYLASE INHIBITORS
  申请人：AstraZeneca AB

  公开号：EP1485371A2

  公开（公告）日：2004-12-15
• US7169927B2
  申请人：——

  公开号：US7169927B2

  公开（公告）日：2007-01-30
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2003074513A2

  公开（公告）日：2003-09-12

  Heterocyclic amides of formula (1) wherein: is a single or double bond; A is phenylene or heteroarylene; m is 0, 1 or 2;n is 0, 1 or 2;R1 is selected from for example halo, nitro, cyano, hydroxy, carboxy; R2 is hydrogen, hydroxy or carboxy;R3 is selected from for example hydrogen, hydroxy, aryl, heterocyclyl and C 1-4 alkyl(optionally substituted by 1 or 2 R8 groups);R4 is independently selected from for example hydrogen, halo, nitro, cyano, hydroxy, C 1-4 alkyl, and C 1-4 alkanoyl; R8 is selected from for example hydroxy, -COCOOR9, -C(O)N(R9)(R10), -NHC(O)R9 , (R9)(R10)N- and -COOR9;R9 and R10 are selected from for example hydrogen, hydroxy, C 1-4 alkyl (optionally substituted by 1 or 2 R13 );R13 is selected from hydroxy, halo, trihalomethyl and C 1-4 alkoxy;or a pharmaceutically acceptable salt or pro-drug thereof; possess glycogen phosphorylase inhibitory activity and accordingly have value in the treatment of disease states associated with increased glycogen phosphorylase activity. Processes for the manufacture of said heterocyclic amide derivatives and pharmaceutical compositions containing them are described.