tert-butyl 7-ethynyl-3,4-dihydroi soquinolin-2(1H)-carboxylate | 1049809-43-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: tert-butyl 7-ethynyl-3,4-dihydroi soquinolin-2(1H)-carboxylate
• 英文别名: 7-ethynyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester；Tert-butyl 7-ethynyl-3,4-dihydroisoquinoline-2(1h)-carboxylate；tert-butyl 7-ethynyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 1049809-43-9
• 化学式: C₁₆H₁₉NO₂
• 分子量: 257.332
• InChiKey: XRBXLYSFRIWNCP-UHFFFAOYSA-N

物化性质

• 沸点：
  366.9±42.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butyl 7-ethynyl-3,4-dihydroi soquinolin-2(1H)-carboxylate 在 盐酸 、 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Identification of non-amidine inhibitors of acid-sensing ion channel-3 (ASIC3)

  摘要：

  A series of benzothiophene methyl amines were examined in an effort to identify non-amidine chemotypes with reduced polypharmacology from existing leads with the goal of finding potent ASIC3 channel blockers to advance the therapeutic evaluation of ASIC3 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.064
• 作为产物：
  描述：

  1,2,3,4-四氢异喹啉-7-醇 在 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl 7-ethynyl-3,4-dihydroi soquinolin-2(1H)-carboxylate
  参考文献：
  名称：

  Identification of non-amidine inhibitors of acid-sensing ion channel-3 (ASIC3)

  摘要：

  A series of benzothiophene methyl amines were examined in an effort to identify non-amidine chemotypes with reduced polypharmacology from existing leads with the goal of finding potent ASIC3 channel blockers to advance the therapeutic evaluation of ASIC3 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.064

文献信息

• CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S
  申请人：Ameriks Michael K.

  公开号：US20080200454A1

  公开（公告）日：2008-08-21

  Carbon-linked tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

  描述了与碳相连的四氢吡唑吡啶化合物，这些化合物可作为cathepsin S调节剂。这些化合物可用于制备药物组合物和治疗疾病状态、疾病和病况的方法，这些疾病状态、疾病和病况是由cathepsin S活性介导的，如银屑病、疼痛、多发性硬化症、动脉粥样硬化和类风湿性关节炎。
• [EN] NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] NOUVEAUX COMPOSÉS UTILISÉS EN TANT QU'INHIBITEURS DE L'HISTONE DÉSACÉTYLASE 6 ET COMPOSITION PHARMACEUTIQUE LES COMPRENANT
  申请人：CHONG KUN DANG PHARMACEUTICAL CORP

  公开号：WO2022013728A1

  公开（公告）日：2022-01-20

  The present invention relates to a novel compound having a histone deacetylase 6 (HDAC6) inhibitory activity, stereoisomers thereof, pharmaceutically acceptable salts thereof, a use thereof in preparation of a medicament, a pharmaceutical composition comprising the same, a preventive or therapeutic method thereof, and a method for preparing novel 1,3,4-oxadiazole triazol derivative, wherein a novel compound having a selective HDAC6 inhibitory activity is represented by following formula (I).

  本发明涉及一种具有组蛋白去乙酰化酶6（HDAC6）抑制活性的新化合物及其立体异构体、药学上可接受的盐、在制备药物中的用途、包含该化合物的药物组合物、其预防或治疗方法，以及制备新型1,3,4-噁二唑三唑衍生物的方法，其中具有选择性HDAC6抑制活性的新化合物由以下式（I）表示。
• Broad spectrum antiviral compositions and methods
  申请人：Evrys Bio, LLC

  公开号：US11459321B2

  公开（公告）日：2022-10-04

  Novel thiazole- and isoquinoline-containing compounds are presented that are useful for treating and/or preventing broad-spectrum viral infections. Methods of treating and/or preventing broad-spectrum viral infections are also presented. These compounds have shown inhibition of HCMV, influenza viruses, Zika virus, BK Virus and RSV replication in cell-based assays.

  本文介绍了可用于治疗和/或预防广谱病毒感染的新型含噻唑和异喹啉化合物。还介绍了治疗和/或预防广谱病毒感染的方法。这些化合物在基于细胞的试验中显示出对 HCMV、流感病毒、寨卡病毒、BK 病毒和 RSV 复制的抑制作用。
• WO2019079519A5
  申请人：——

  公开号：WO2019079519A5

  公开（公告）日：2022-10-07
• Broad Spectrum Antiviral Compositions and Methods
  申请人：Evrys Bio, LLC

  公开号：US20210139475A1

  公开（公告）日：2021-05-13

  Novel thiazole- and isoquinoline-containing compounds are presented that are useful for treating and/or preventing broad-spectrum viral infections. Methods of treating and/or preventing broad-specturm viral infections are also presented. These compounds have shown inhibition of HCMV, influenza viruses, Zika virus, BK Virus and RSV replication in cell-based assays.