1,3-dichloro-5-methoxyisoquinoline | 24623-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1,3-dichloro-5-methoxyisoquinoline
• 英文别名: 1,3-dichloro-5-methoxy-isoquinoline；1,3-Dichlor-5-methoxy-isochinolin
• CAS: 24623-38-9
• 化学式: C₁₀H₇Cl₂NO
• 分子量: 228.078
• InChiKey: DHWYGSPWPQXKME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-dichloro-5-methoxyisoquinoline 在 盐酸 、 四甲基乙二胺 、 1,5-双(二苯基膦)戊烷 、 palladium diacetate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 62.17h， 生成 (2S,2'S)-N,N'-(4,4'-((E)-ethene-1,2-diyl)bis(4,1-phenylene))bis(1-(3-chloro-5-methoxyisoquinoline-1-carbonyl)pyrrolidine-2-carboxamide)
  参考文献：
  名称：

  HCV NS5A Replication Complex Inhibitors. Part 4.1 Optimization for Genotype 1a Replicon Inhibitory Activity

  摘要：

  A series of symmetrical E-stilbene prolinamides that originated from the library-synthesized lead 3 was studied with respect to HCV genotype 1a (G-1a) and genotype 1b (G-1b) replicon inhibition and selectivity against BVDV and cytotoxicity. SAR emerging from an examination of the prolinamide cap region revealed 11 to be a selective HCV NS5A inhibitor exhibiting submicromolar potency against both G-1a and G-1b replicons. Additional structural refinements resulted in the identification of 30 as a potent, dual G-1a/1b HCV NS5A inhibitor.

  DOI：

  10.1021/jm301796k
• 作为产物：
  描述：

  4-methoxy-2-oximino-1-indanone 在 五氯化磷 、 三氯氧磷 、 盐酸 作用下， 以 水 为溶剂， 反应 21.0h， 以98%的产率得到1,3-dichloro-5-methoxyisoquinoline
  参考文献：
  名称：

  HCV NS5A Replication Complex Inhibitors. Part 4.1 Optimization for Genotype 1a Replicon Inhibitory Activity

  摘要：

  A series of symmetrical E-stilbene prolinamides that originated from the library-synthesized lead 3 was studied with respect to HCV genotype 1a (G-1a) and genotype 1b (G-1b) replicon inhibition and selectivity against BVDV and cytotoxicity. SAR emerging from an examination of the prolinamide cap region revealed 11 to be a selective HCV NS5A inhibitor exhibiting submicromolar potency against both G-1a and G-1b replicons. Additional structural refinements resulted in the identification of 30 as a potent, dual G-1a/1b HCV NS5A inhibitor.

  DOI：

  10.1021/jm301796k

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Bachand Carol

  公开号：US20090202483A1

  公开（公告）日：2009-08-13

  The present disclosure relates to compounds, compositions and methods for the treatment of hepatitis C virus (HCV) infection. Also disclosed are pharmaceutical compositions containing such compounds and methods for using these compounds in the treatment of HCV infection.

  本公开涉及化合物、组合物和治疗丙型肝炎病毒（HCV）感染的方法。还公开了含有这些化合物的药物组合物以及在治疗HCV感染中使用这些化合物的方法。
• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HEPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005051410A1

  公开（公告）日：2005-06-09

  Hepatitis C virus inhibitors are disclosed having the general formula (I) wherein A, R2, R3, R', B and Y are described in the description. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

  丙型肝炎病毒抑制剂的一般结构式（I）已被披露，其中A、R2、R3、R'、B和Y在描述中有所描述。还披露了包含这些化合物的组合物以及使用这些化合物抑制HCV的方法。
• 3-Piperazino-isoquinolines and salts thereof
  申请人：Boehringer Ingelheim GmbH

  公开号：US03975524A1

  公开（公告）日：1976-08-17

  Compounds of the formula ##SPC1## Wherein R.sub.1 is hydrogen, alkyl of 1 to 3 carbon atoms, alkanoyl of 1 to 3 carbon atoms, or alkoxycarbonyl of 2 to 4 carbon atoms, R.sub.2 is morpholino, thiomorpholino or 1-oxido-thiomorpholino, and R.sub.3 is hydrogen, fluorine, chlorine, bromine, methyl, methoxy or nitro, And non-toxic, pharmacologicaly acceptable acid addition salts thereof; the compounds as well as the salts are useful as anticoagulants.

  式为##SPC1##的化合物，其中R.sub.1是氢、1至3个碳原子的烷基、1至3个碳原子的烷酰基，或2至4个碳原子的烷氧羰基，R.sub.2是吗啉基、硫代吗啉基或1-氧代硫代吗啉基，R.sub.3是氢、氟、氯、溴、甲基、甲氧基或硝基，以及其非毒性、药理学上可接受的酸盐；这些化合物及其盐可用作抗凝剂。
• Hepatitis C virus inhibitors
  申请人：Scola Michael Paul

  公开号：US20050267040A1

  公开（公告）日：2005-12-01

  Hepatitis C virus inhibitors are having the general formula: wherein A, R 2 , R 3 , R′, B and Y are described in the description. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

  丙型肝炎病毒抑制剂的一般式为：其中A、R2、R3、R'、B和Y在说明书中有描述。还公开了包含该化合物的组合物和使用该化合物抑制HCV的方法。
• HEPATITIS C VIRUS INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2328865B1

  公开（公告）日：2017-05-31