methyl 8-chloro-4-hydroxy-7-methoxyquinoline-2-carboxylate | 801282-86-0

• 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: methyl 8-chloro-4-hydroxy-7-methoxyquinoline-2-carboxylate
• 英文别名: 2-Carbomethoxy-8-chloro-4-hydroxy-7-methoxyquinoline；methyl 8-chloro-7-methoxy-4-oxo-1H-quinoline-2-carboxylate
• CAS: 801282-86-0
• 化学式: C₁₂H₁₀ClNO₄
• 分子量: 267.669
• InChiKey: HBGMQFXPMHUFAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 8-chloro-4-hydroxy-7-methoxyquinoline-2-carboxylate 以99.6的产率得到8-chloro-4-hydroxy-7-methoxyquinoline-2-carboxylic acid
  参考文献：
  名称：

  Antiviral phosphinate compounds

  摘要：

  本发明涉及抗病毒的膦酸酯化合物，包含这种化合物的组合物和治疗方法，其中包括给予这种化合物的管理，以及用于制备这种化合物的过程和中间体。

  公开号：

  US08674088B2
• 作为产物：
  描述：

  2-[(2-chloro-3-methoxyphenyl)amino]-2-Butenedioic acid 1,4-dimethyl ester 以 二苯醚 为溶剂， 生成 methyl 8-chloro-4-hydroxy-7-methoxyquinoline-2-carboxylate
  参考文献：
  名称：

  Discovery of a Potent and Selective Noncovalent Linear Inhibitor of the Hepatitis C Virus NS3 Protease (BI 201335)

  摘要：

  C-Terminal carboxylic acid containing inhibitors of the NS3 protease are reported. A novel series of linear tripeptide inhibitors that are very potent and selective against the NS3 protease are described. A substantial contribution to the potency of these linear inhibitors arises from the introduction of a C8 substituent on the B-ring of the quinoline moiety found on the P2 of these inhibitors. The introduction of a CS methyl group results not only in a modest increase in the cell-based potency of these inhibitors but more importantly in a much better pharmacokinetic profile in rats as well. Exploration of C8-substitutions led to the identification of the bromo derivative as the best group at this position, resulting in a significant increase in the cell-based potency of this class of inhibitors. Structure activity studies on the C8-bromo derivatives ultimately led to the discovery of clinical candidate 29 (BI 201335), a very potent and selective inhibitor of genotypel NS3 protease with a promising PK profile in rats.

  DOI：

  10.1021/jm100690x

文献信息

• METHODS FOR TREATING HCV
  申请人：Delaney William E.

  公开号：US20130273005A1

  公开（公告）日：2013-10-17

  This invention relates to combinations of therapeutic molecules useful for treating hepatitis C virus infection. The present invention relates to methods, uses, dosing regimens, and compositions.

  这项发明涉及治疗丙型肝炎病毒感染的治疗分子组合。本发明涉及方法、用途、给药方案和组合物。
• [EN] HEPATITIS C INHIBITOR COMPOUNDS<br/>[FR] COMPOSES INHIBITEURS DE L'HEPATITE C
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2004103996A1

  公开（公告）日：2004-12-02

  Compounds of formula (I): wherein B, X, R3, L0, L1, L2, R2, R1 and RC are defined herein. The compounds are useful as inhibitors of HCV NS3 protease for the treatment of hepatitis C viral infection.

  公式（I）的化合物：其中B、X、R3、L0、L1、L2、R2、R1和RC的定义如本文所述。这些化合物可用作丙型肝炎病毒NS3蛋白酶的抑制剂，用于治疗丙型肝炎病毒感染。
• [EN] COMBINATIONS FOR TREATING HCV<br/>[FR] COMBINATIONS POUR TRAITER LE VHC
  申请人：GILEAD SCIENCES INC

  公开号：WO2012087596A1

  公开（公告）日：2012-06-28

  This invention relates to combinations of therapeutic molecules useful for treating hepatitis C virus infection. The present invention relates to methods, uses, dosing regimens, and compositions.

  本发明涉及治疗丙型肝炎病毒感染的治疗分子组合。本发明涉及方法、用途、剂量方案和组合物。
• Antiviral phosphinate compounds
  申请人：Casarez Anthony

  公开号：US08674088B2

  公开（公告）日：2014-03-18

  The invention is related to anti-viral phosphinate compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及抗病毒的膦酸酯化合物，包含这种化合物的组合物和治疗方法，其中包括给予这种化合物的管理，以及用于制备这种化合物的过程和中间体。
• Macrocyclic peptides active against the hepatitis C virus
  申请人：Llinas-Brunet Montse

  公开号：US20050080005A1

  公开（公告）日：2005-04-14

  Compounds of formula I: wherein D, R 4 , R 3 , L 0 , L 1 , L 2 , R 2 and R c are defined herein; or a pharmaceutically acceptable salt thereof, useful as inhibitors of the HCV NS3 protease.

  化合物I的式子为：其中D、R4、R3、L0、L1、L2、R2和R在此定义；或其药学上可接受的盐，可用作HCV NS3蛋白酶的抑制剂。