1-(4-isopropylbenzyl)-1H-pyrazole-4-carboxylic acid {5-[5-(2-diethylamino-ethoxy)-1H-indol-2-yl]-6-oxo-1,6-dihydro-pyridin-3-yl}-amide | 1174665-23-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1-(4-isopropylbenzyl)-1H-pyrazole-4-carboxylic acid {5-[5-(2-diethylamino-ethoxy)-1H-indol-2-yl]-6-oxo-1,6-dihydro-pyridin-3-yl}-amide
• 英文别名: N-[5-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]-1-[(4-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide
• CAS: 1174665-23-6
• 化学式: C₃₃H₃₈N₆O₃
• 分子量: 566.703
• InChiKey: UMQURWCQHMHJHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity
  申请人：Vernalis (R&D) Ltd.

  公开号：US20150099736A1

  公开（公告）日：2015-04-09

  Compounds of formula (I) have checkpoint kinase 1 (CHK1) inhibitory activity: wherein R 1 , R 2 , R 5 and R 6 are independently selected from hydrogen, hydroxy, methyl, trifluoromethyl, hydroxymethyl, methoxy, trifluoromethoxy, methylamino and dimethylamino; R 3 , and R 4 are independently selected from hydrogen, hydroxy, C 1 -C 3 alkyl, fluoro-(C 1 -C 3 )-alkyl, hydroxy-(C 1 -C 3 )-alkyl, C 1 -C 3 alkoxy, fluoro-(C 1 -C 3 )-alkoxy, hydroxy-(C 1 -C 3 )-alkoxy, —N(R 11 )—R 12 , -Alk-N(R 11 )—R 12 , —O-Alk-N(R 11 )—R 12 , —C(═O)OH, carboxy-(C 1 -C 3 )-alkyl, or —C(═O)—NH—R 13 ; Alk is a straight or branched chain divalent C 1 -C 6 alkylene radical; R 7 and R 8 are independently selected from hydrogen, hydroxy, or C 1 -C 3 alkoxy; X is a straight chain divalent C 1 -C 3 alkylene radical, optionally substituted on one or more carbons by R 9 and/or R 10 ; W is selected from —C(═O)—N(—R 16 )— or —N(—R 17 )—C(═O)—; Y is hydrogen, C 1 -C 3 alkyl, C 1 -C 3 alkoxy, or halo; and Q is selected from optionally substituted phenyl, optionally substituted cyclohexyl, or an optionally substituted 6-membered monocyclic heteroaryl ring.

  公式（I）的化合物具有检查点激酶1（CHK1）抑制活性：其中R1、R2、R5和R6分别选自氢、羟基、甲基、三氟甲基、羟甲基、甲氧基、三氟甲氧基、甲基氨基和二甲氨基；R3和R4分别选自氢、羟基、C1-C3烷基、氟代（C1-C3）烷基、羟基（C1-C3）烷基、C1-C3烷氧基、氟代（C1-C3）烷氧基、羟基（C1-C3）烷氧基、-N（R11）-R12，-Alk-N（R11）-R12，-O-Alk-N（R11）-R12，-C（=O）OH，羧基（C1-C3）烷基或-C（=O）-NH-R13；Alk是直链或支链的二价C1-C6烷基基团；R7和R8分别选自氢、羟基或C1-C3烷氧基；X是直链的二价C1-C3烷基基团，可在一个或多个碳上取代R9和/或R10；W选自-C（=O）-N（-R16）-或-N（-R17）-C（=O）-；Y选自氢、C1-C3烷基、C1-C3烷氧基或卤素；Q选自可选取代的苯基、可选取代的环己基或可选取代的6元单环杂芳基。
• INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY
  申请人：Stokes Stephen

  公开号：US20110021498A1

  公开（公告）日：2011-01-27

  Compounds of formula (I) have checkpoint kinase 1 (CHK1) inhibitory activity: wherein R 1 , R 2 , R 5 and R 6 are independently selected from hydrogen, hydroxy, methyl, trifluoromethyl, hydroxymethyl, methoxy, trifluoromethoxy, methylamino and dimethylamino; R 3 , and R 4 are independently selected from hydrogen, hydroxy, C 1 -C 3 alkyl, fluoro-(C 1 -C 3 )-alkyl, hydroxy-(C 1 C 3 )-alkyl, C 1 -C 3 alkoxy, fluoro-(C 1 -C 3 )-alkoxy, hydroxy-(C 1 -C 3 )-alkoxy, -AIk-N(R 11 )—R 12 , -0-AIk-N(R 11 )—R 12 , —C(═O)OH, carboxy-(C 1 -C 3 )-alkyl, or —C(═O)—NH—R 13 ; AIk is a straight or branched chain divalent C 1 -C 6 alkylene radical; R 7 and R 8 are independently selected from hydrogen, hydroxy, or C 1 -C 3 alkoxy; X is a straight chain divalent C 1 -C 3 alkylene radical, optionally substituted on one or more carbons by R 9 and/or R 10 ; W is selected from —C(═O)—N(—R 16 )— or —N(—R 17 )—C(═O)—; Y is hydrogen, C 1 -C 3 alkyl, C 1 -C 3 alkoxy, or halo; and Q is selected from optionally substituted phenyl, optionally substituted cyclohexyl, or an optionally substituted 6-membered monocyclic heteroaryl ring.

  式(I)的化合物具有检查点激酶1（CHK1）抑制活性：其中R1、R2、R5和R6独立地选自氢、羟基、甲基、三氟甲基、羟甲基、甲氧基、三氟甲氧基、甲基氨基和二甲氨基；R3和R4独立地选自氢、羟基、C1-C3烷基、氟代（C1-C3）烷基、羟基（C1-C3）烷基、C1-C3烷氧基、氟代（C1-C3）烷氧基、羟基（C1-C3）烷氧基、-AIk-N（R11）-R12、-0-AIk-N（R11）-R12、-C（═O）OH、羧基（C1-C3）烷基或-C（═O）-NH-R13；AIk是直链或支链二价C1-C6烷基基团；R7和R8独立地选自氢、羟基或C1-C3烷氧基；X选自直链二价C1-C3烷基基团，可在一个或多个碳上被R9和/或R10取代；W选自-C（═O）-N（-R16）-或-N（-R17）-C（═O）-；Y选自氢、C1-C3烷基、C1-C3烷氧基或卤素；Q选自可选取代的苯基、可选取代的环己基或可选取代的6元单环杂芳基。
• Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity
  申请人：Vernalis (R&D) Ltd.

  公开号：US10696652B2

  公开（公告）日：2020-06-30

  A method of treating a mammal suffering from a cancer responsive to inhibition of protein kinase activity, by administering to the mammal an amount of a compound of formula (I), or a pharmaceutically acceptable salt thereof, effective to inhibit protein kinase activity, wherein the compound of formula (I) is:

  一种治疗患有对蛋白激酶活性抑制有反应的癌症的哺乳动物的方法，向该哺乳动物施用一定量的式(I)化合物或其药学上可接受的盐，以有效抑制蛋白激酶活性，其中式(I)化合物是：
• US8916591B2
  申请人：——

  公开号：US8916591B2

  公开（公告）日：2014-12-23
• US9604975B2
  申请人：——

  公开号：US9604975B2

  公开（公告）日：2017-03-28