7-溴-3-甲氧基-异喹啉 | 1246549-59-6

• 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
• 中文名称: 7-溴-3-甲氧基-异喹啉
• 中文别名: 7-溴-3-甲氧基异喹啉
• 英文名称: 7-bromo-3-methoxyisoquinoline
• CAS: 1246549-59-6
• 化学式: C₁₀H₈BrNO
• 分子量: 238.084
• InChiKey: UUOPCILVZYFPAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 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

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  7-溴-3-甲氧基-异喹啉 在 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 1,3-二氯-5,5-二甲基海因 、 二氯双[二叔丁基-(4-二甲基氨基苯基)膦]钯(II) 、 sodium hexamethyldisilazane 、 溶剂黄146 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium iodide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 32.67h， 生成 4-(2-chloro-3'-fluoro-5-methoxy-[1,1'-biphenyl]-4-yl)-N-(isoxazol-3-yl)-2-methyl-3-oxo-2,3-dihydroisoquinoline-7-sulfonamide 2,2,2-trifluoroacetate
  参考文献：
  名称：

  Sulfonamides as Selective Na_V1.7 Inhibitors: Optimizing Potency and Pharmacokinetics While Mitigating Metabolic Liabilities

  摘要：

  Several reports have recently emerged regarding the identification of heteroarylsulfonamides as Na(V)1.7 inhibitors that demonstrate high levels of selectivity over other Na-V isoforms. The optimization of a series of internal Na(V)1.7 leads that address a number of metabolic liabilities including bioactivation, PXR activation, as well as CYP3A4 induction and inhibition led to the identification of potent and selective inhibitors that demonstrated favorable pharmacokinetic profiles and were devoid of the aforementioned liabilities. The key to achieving this within a series prone to transporter-mediated clearance was the identification of a small range of optimal cLogD values and the discovery of subtle PXR SAR that was not lipophilicity dependent. This enabled the identification of compound 20, which was advanced into a target engagement pharmacodynamic model where it exhibited robust reversal of histamine-induced scratching bouts in mice.

  DOI：

  10.1021/acs.jmedchem.6b01851
• 作为产物：
  描述：

  7-溴-3-氯异喹啉 、 sodium methylate 在 甲苯 、 水 、 Brine 、 Sodium sulfate-III 作用下， 以 二乙二醇二甲醚 、 甲苯 、 水 为溶剂， 反应 17.0h， 以to give the title compound (83 mg, 85%) as a yellow solid的产率得到7-溴-3-甲氧基-异喹啉
  参考文献：
  名称：

  N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS

  摘要：

  本发明提供了公式（I）的化合物或其药学上可接受的盐；其中G是R1，R2和R3如此处所述；以及其药物组合物；以及在治疗受体内乙酰辅酶A羧化酶酶抑制剂调节的疾病、病况或疾患中使用它的用途。

  公开号：

  US20120108619A1

文献信息

• [EN] TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE<br/>[FR] INHIBITEURS, À BASE DE TRIAZOLOPYRIDINE, DE LA MYÉLOPEROXYDASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017040449A1

  公开（公告）日：2017-03-09

  The present invention provides compounds of Formula (I): wherein A is as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.

  本发明提供了化合物的结构式（I）：其中A如规范中定义，并包括任何此类新化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，可用作药物。
• [EN] (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE (PIPÉRIDIN-3-YL)(NAPHTALÉN-2-YL)MÉTHANONE ET COMPOSÉS ASSOCIÉS UTILISÉS COMME INHIBITEURS DE L'HISTONE DÉMÉTHYLASE KDM2B POUR LE TRAITEMENT DU CANCER
  申请人：GENENTECH INC

  公开号：WO2016112284A1

  公开（公告）日：2016-07-14

  The present invention relates to (piperidin-3-yl)(naphthalen-2-yl) methanone derivatives and related compounds as inhibitors of one or more histone demethylses, such as KDM2b. The invention also provides pharmaceutically acceptable compositions comprising compounds of the present invention and discloses methods of using said compositions in the treatment of cancer, such as lung cancer, leukemia or lymphoma.

  本发明涉及（哌啶-3-基）（萘-2-基）甲酮衍生物和相关化合物，作为一种或多种组蛋白去甲基酶抑制剂，如KDM2b。该发明还提供了包括本发明化合物的药学上可接受的组合物，并公开了使用该类组合物治疗癌症，如肺癌、白血病或淋巴瘤的方法。
• N1/N2-lactam acetyl-CoA carboxylase inhibitors
  申请人：Griffith David A.

  公开号：US08859773B2

  公开（公告）日：2014-10-14

  The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt thereof; wherein G is R1, R2 and R3 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl-CoA carboxylase enzyme(s) in an animal.

  本发明提供了一种公式（I）的化合物或其药学上可接受的盐；其中G为R1，R2和R3如本文所述；其药物组成物；以及在治疗动物中由乙酰辅酶A羧化酶酶抑制调节的疾病，状况或障碍中使用它的用途。
• Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors
  申请人：AMGEN INC.

  公开号：US20160137636A1

  公开（公告）日：2016-05-19

  The present invention provides compounds of Formula I or pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav1.7. The compounds are useful for the treatment of diseases treatable by inhibition of sodium channels such as pain disorders. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了I式化合物或其药学上可接受的盐，其为电压门控钠通道抑制剂，特别是Nav1.7。该化合物可用于治疗可通过钠通道抑制治疗的疾病，如疼痛障碍。还提供了含有本发明化合物的制药组合物。
• Therapeutic compounds and uses thereof
  申请人：GENENTECH, INC.

  公开号：US10280149B2

  公开（公告）日：2019-05-07

  The present invention relates to compounds useful as inhibitors of one or more histone demethylses, such as KDM2b. The invention also provides pharmaceutically acceptable compositions comprising compounds of the present invention and methods of using said compositions in the treatment of various disorders.

  本发明涉及可作为一种或多种组蛋白去甲基化抑制剂（如 KDM2b）的化合物。本发明还提供了包含本发明化合物的药学上可接受的组合物，以及使用所述组合物治疗各种疾病的方法。