3-Cyclopentyl-2-pyridin-2-yl-benzofuran-6-Carboxylic Acid | 494799-49-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-Cyclopentyl-2-pyridin-2-yl-benzofuran-6-Carboxylic Acid
• 英文别名: 3-Cyclopentyl-2-(2-pyridyl)benzofuran-6-carboxylic acid；3-cyclopentyl-2-pyridin-2-yl-1-benzofuran-6-carboxylic acid
• CAS: 494799-49-4
• 化学式: C₁₉H₁₇NO₃
• 分子量: 307.349
• InChiKey: HOUZXBDALAPYIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Viral polymerase inhibitors
  申请人：Boehringer Ingelheim (Canada) Ltd.

  公开号：US20030176433A1

  公开（公告）日：2003-09-18

  An isomer, enantiomer, diastereoisomer, or tautomer of a compound, represented by formula I: 1 wherein: A is O, S, NR 1 , or CR 1 , wherein R 1 is defined herein; ---- represents either a single or a double bond; R 2 is selected from: H, halogen, R 21 , OR 21 , SR 21 , COOR 21 , SO 2 N(R 22 ) 2 , N(R 22 ) 2 , CON(R 22 ) 2 , NR 22 C(O)R 22 or NR 22 C(O)NR 22 wherein R 21 and each R 22 is defined herein; B is NR 3 or CR 3 , with the proviso that one of A or B is either CR 1 or CR 3 , wherein R 3 is defined herein; K is N or CR 4 , wherein R 4 is defined herein; L is N or CR 5 , wherein R 5 has the same definition as R 4 defined above; M is N or CR 7 , wherein R 7 has the same definition as R 4 defined above; Y 1 is O or S; Z is N(R 6a )R 6 or OR 6 , wherein R 6a is H or alkyl or NR 61 R 62 wherein R 61 and R 62 are defined herein; a salt or a derivative thereof, as an inhibitor of HCV NS5B polymerase.

  化合物的异构体，对映异构体，顺反异构体或互变异构体，由以下式I表示： 1 其中： A为O，S，NR 1 或CR 1 ，其中R 1 在此处定义； ----表示单键或双键之一； R 2 从以下选取：H，卤素，R 21 ，OR 21 ，SR 21 ，COOR 21 ，SO 2 N(R 22 ) 2 ，N(R 22 ) 2 ，CON(R 22 ) 2 ，NR 22 C(O)R 22 或NR 22 C(O)NR 22 其中R 21 和每个R 22 在此处定义； B为NR 3 或CR 3 ，但A或B中的一个为CR 1 或CR 3 ， 其中R 3 在此处定义； K为N或CR 4 ，其中R 4 在此处定义； L为N或CR 5 ，其中R 5 的定义与上述定义的R 4 相同； M为N或CR 7 ，其中R 7 的定义与上述定义的R 4 相同； Y 1 为O或S； Z为N(R 6a )R 6 或OR 6 ，其中R 6a 为H或烷基或NR 61 R 62 其中R 61 和R 62 在此处定义； 作为HCV NS5B聚合酶的抑制剂的盐或其衍生物。
• 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor
  申请人：Mizojiri Ryo

  公开号：US20090036444A1

  公开（公告）日：2009-02-05

  The present invention relates to a fused ring compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable a salt thereof, and a hepatitis C virus (HCV) polymerase inhibitor and a therapeutic agent for hepatitis C containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及一种由以下式[I]表示的融合环化合物，其中每个符号如规范中所定义，或其药学上可接受的盐，以及一种丙型肝炎病毒（HCV）聚合酶抑制剂和治疗丙型肝炎的药物，本发明的化合物基于HCV聚合酶抑制活性具有抗HCV活性，是一种预防或治疗丙型肝炎的药剂。
• Viral Polymerase Inhibitors
  申请人：Beaulieu Louis Pierre

  公开号：US20060293306A1

  公开（公告）日：2006-12-28

  An isomer, enantiomer, diastereoisomer, or tautomer of a compound, represented by formula I: wherein: A is O, S, NR 1 , or CR 1 , wherein R 1 is defined herein; — represents either a single or a double bond; R 2 is selected from: H, halogen, R 21 , OR 21 , SR 21 , COOR 21 , SO 2 N(R 22 ) 2 , N(R 22 ) 2 , CON(R 22 ) 2 , NR 22 C(O)R 22 or NR 22 C(O)NR 22 wherein R 21 and each R 22 is defined herein; B is NR 3 or CR 3 , with the proviso that one of A or B is either CR 1 or CR 3 , wherein R 3 is defined herein; K is N or CR 4 , wherein R 4 is defined herein; L is N or CR 5 wherein R 5 has the same definition as R 4 defined above; M is N or CR 7 , wherein R 7 has the same definition as R 4 defined above; Y 1 is O or S; Z is N(R 6a )R 6 or OR 6 , wherein R 6a is H or alkyl or NR 61 R 62 wherein R 61 and R 62 are defined herein; a salt or a derivative thereof, as an inhibitor of HCV NS5B polymerase.

  化合物的异构体、对映异构体、顺反异构体或互变异构体，由式I表示：其中：A为O、S、NR1或CR1，其中R1如本文所定义；—代表单键或双键；R2选自：H、卤素、R21、OR21、SR21、COOR21、SO2N(R22)2、N(R22)2、CON(R22)2、NR22C(O)R22或NR22C(O)NR22，其中R21和每个R22如本文所定义；B为NR3或CR3，但其中一个为CR1或CR3，其中R3如本文所定义；K为N或CR4，其中R4如本文所定义；L为N或CR5，其中R5与上述R4定义相同；M为N或CR7，其中R7与上述R4定义相同；Y1为O或S；Z为N(R6a)R6或OR6，其中R6a为H或烷基，或NR61R62，其中R61和R62如本文所定义；其盐或衍生物，作为HCV NS5B聚合酶的抑制剂。
• Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor
  申请人：Oka Takahiro

  公开号：US20070049593A1

  公开（公告）日：2007-03-01

  The present invention relates to a tetracyclic fused heterocyclic compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable a salt thereof, and a hepatitis C virus (HCV) polymerase inhibitor and a therapeutic agent for hepatitis C containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及一种四环融合杂环化合物，其化学式为[I]，其中每个符号的定义如规范中所述，或其药学上可接受的盐，以及一种丙型肝炎病毒（HCV）聚合酶抑制剂和治疗丙型肝炎的药物，本发明的化合物表现出基于HCV聚合酶抑制活性的抗HCV活性，因此可用作预防或治疗丙型肝炎的药物。
• TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR
  申请人：Oka Takahiro

  公开号：US20120070409A1

  公开（公告）日：2012-03-22

  The present invention relates to a tetracyclic fused heterocyclic compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable a salt thereof, and a hepatitis C virus (HCV) polymerase inhibitor and a therapeutic agent for hepatitis C containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及一种四环融合杂环化合物，其表示为以下公式[I]，其中每个符号如规范中所定义，或其药学上可接受的盐，以及一种丙型肝炎病毒（HCV）聚合酶抑制剂和治疗丙型肝炎的药物，本发明的化合物基于HCV聚合酶抑制活性显示出抗HCV活性，可用作预防或治疗丙型肝炎的药物。