2-amino-5-(3-chloropyridin-2-yl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]benzonitrile | 1093966-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-amino-5-(3-chloropyridin-2-yl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]benzonitrile
• 英文别名: 2-Amino-5-(3-chloropyridin-2-yl)-3-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzonitrile
• CAS: 1093966-50-7
• 化学式: C₂₃H₁₇ClN₄O₃
• 分子量: 432.866
• InChiKey: NLEZGNFXYMNXML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE
  申请人：Yasuma Tsuneo

  公开号：US20110301155A1

  公开（公告）日：2011-12-08

  The present invention aims to provide a glucokinase activator useful as a pharmaceutical agent such as an agent for the prophylaxis or treatment of diabetes, obesity and the like, and the like. A compound represented by the formula (I): wherein R 1 is an optionally substituted 4- to 7-membered nitrogen-containing heterocyclic group, optionally substituted carbamoyl, or optionally substituted sulfamoyl; R 2 is optionally substituted alkyl, optionally substituted alkoxy, an optionally substituted 3- to 7-membered cyclic group, —SR′, —SOR′, or —SO 2 R′ (R′ is a substituent); R 3 is hydrogen, halogen, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkoxy, —O-Cy (Cy is an optionally substituted 3- to 7-membered cyclic group which may be condensed with benzene), —SR″, —SOR″, or —SO 2 R″ (R″ is a substituent), or an optionally substituted 3- to 7-membered cyclic group which may be condensed with benzene; R 4 is hydrogen, or optionally substituted alkyl; provided that when R 3 is hydrogen, halogen, or methoxy, then R 2 is not optionally substituted alkyl, or optionally substituted alkoxy; further provided that 5-[5-[(2S)-2-amino-3-phenylpropyl]oxy}-2-(3-furyl)pyridin-3-yl]-N-pyridin-4-yl-1H-indazol-3-amine and 5-[ 5 -[(2S)-2-amino-3-phenylpropyl]oxy}-2-(3-furyl)pyridin-3-yl]-1-(4-methoxybenzyl)-N-pyridin-4-yl-1H-indazol-3-amine are excluded; or a salt thereof.

  本发明旨在提供一种葡萄糖激酶激活剂，可用作药物剂，例如用于预防或治疗糖尿病、肥胖症等药物剂，并且类似。化合物的结构式如下（I）：其中，R1是可选取的取代的4-至7-成员含氮杂环基团、可选取的取代的氨基甲酰基或可选取的取代的磺酰基；R2是可选取的取代的烷基、可选取的取代的烷氧基、可选取的取代的3-至7-成员环基团、-SR'、-SOR'或-SO2R'（R'是一个取代基）；R3是氢、卤素、可选取的取代的烷基、可选取的取代的烯基、可选取的取代的烷氧基、-O-Cy（Cy是一个可选取的3-至7-成员环基团，可以与苯并环缩合）、-SR''、-SOR''或-SO2R''（R''是一个取代基），或可选取的取代的3-至7-成员环基团，可以与苯并环缩合；R4是氢或可选取的取代的烷基；但是，当R3为氢、卤素或甲氧基时，R2不是可选取的取代的烷基或可选取的取代的烷氧基；进一步提供，5-[5-[(2S)-2-氨基-3-苯基丙基]氧基}-2-(3-呋喃基)吡啶-3-基]N-吡啶-4-基-1H-吲唑-3-胺和5-[5-[(2S)-2-氨基-3-苯基丙基]氧基}-2-(3-呋喃基)吡啶-3-基]-1-(4-甲氧基苯基)-N-吡啶-4-基-1H-吲唑-3-胺被排除；或其盐。