(7-methoxy-benzofuran-3-yl)-acetonitrile | 39581-47-0

• 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: (7-methoxy-benzofuran-3-yl)-acetonitrile
• 英文别名: (7-methoxy-1-benzofuran-3-yl)acetonitrile；7-methoxy-3-benzofuranacetonitrile；2-(7-methoxy-1-benzofuran-3-yl)acetonitrile
• CAS: 39581-47-0
• 化学式: C₁₁H₉NO₂
• 分子量: 187.198
• InChiKey: HEGOPTQWHGBOHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  46.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (7-methoxy-benzofuran-3-yl)-acetonitrile 在 lithium aluminium tetrahydride 、 水 、 盐酸 作用下， 以 乙醚 、 氯仿 、 乙酸乙酯 为溶剂， 以92%的产率得到2-(7-methoxy-1-benzofuran-3-yl)ethanamine hydrochloride
  参考文献：
  名称：

  NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

  摘要：

  本发明涉及新型磷酸二酯酶4型（PDE4）抑制剂的化学式（1）及其类似物、互变异构体、对映异构体、二对映异构体、位置异构体、立体异构体、多晶型、药学上可接受的盐、适当的N-氧化物、药学上可接受的溶剂化合物以及含有它们的制药组合物，这些制剂在治疗过敏性和炎症性疾病方面具有用途，包括哮喘、慢性支气管炎、特应性皮炎、荨麻疹、过敏性鼻炎、过敏性结膜炎、春季结膜炎、嗜酸性肉芽肿、牛皮癣、类风湿性关节炎、脓毒性休克、溃疡性结肠炎、克罗恩病、心肌再灌注损伤和脑再灌注损伤、慢性肾小球肾炎、内毒素休克和成人呼吸窘迫综合症。

  公开号：

  US20090306082A1
• 作为产物：
  描述：

  7-甲氧基-3(2H)-苯并呋喃酮 以77%的产率得到
  参考文献：
  名称：

  CHAN J. H.-T.; ELIX J. A.; FERGUSON B. A., AUSTRAL. J. CHEM. , 1975, 28, NO 5, 1097-1111

  摘要：

  DOI：

文献信息

• Octahydro-1H-benzo[4,5]furo[3,2-e]-isoquinoline analgesic and narcotic
  申请人：E. I. Du Pont De Nemours and Company

  公开号：US04243668A1

  公开（公告）日：1981-01-06

  Octahydro-1H-benzo[4,5]furo[3,2-e]isoquinoline compounds and processes for their manufacture are provided. The compounds correspond to the formula ##STR1## These compounds exhibit both analgesic and narcotic antagonistic properties, as well as low abuse liability. Novel intermediate compounds are also provided which have the formula ##STR2##

  本发明提供了八氢-1H-苯并[4,5]呋喃[3,2-e]异喹啉化合物及其制备方法。该化合物符合以下公式：##STR1##这些化合物既具有镇痛作用又具有麻醉拮抗作用，同时滥用的可能性较低。本发明还提供了具有以下公式的新型中间体化合物：##STR2##
• NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Gharat Laxmikant Atmaram

  公开号：US20110190303A1

  公开（公告）日：2011-08-04

  The present invention relates to novel Phosphodiesterase type 4 (PDE4) inhibitors of the formula (1) and analogs, tautomers, enantiomers, diasteromers, regioisomers, stereoisomers, polymorphs, pharmaceutically acceptable salts, appropriate N-oxides, pharmaceutically acceptable solvates thereof and the pharmaceutical compositions containing them which are useful in the treatment of allergic and inflammatory diseases including asthma, chronic bronchitis, atopic dermatitis, urticaria, allergic rhinitis, allergic conjunctivitis, vernal conjuctivitis, eosinophilic granuloma, psoriasis, rheumatoid arthritis, septic shock, ulcerative colitis, Crohn's disease, reperfusion injury of the myocardium and reperfusion injury of the brain, chronic glomerulonephritis, endotoxic shock and adult respiratory distress syndrome.

  本发明涉及一种新的磷酸二酯酶4型（PDE4）抑制剂，其化学式为（1）及其类似物、互变异构体、对映异构体、立体异构体、区域异构体、立体异构体、多晶型、药学上可接受的盐、适当的N-氧化物、药学上可接受的溶剂化物和含有它们的制药组合物，用于治疗过敏和炎症性疾病，包括哮喘、慢性支气管炎、特应性皮炎、荨麻疹、过敏性鼻炎、过敏性结膜炎、春季结膜炎、嗜酸性肉芽肿、牛皮癣、类风湿关节炎、脓毒症休克、溃疡性结肠炎、克隆病、心肌再灌注损伤和脑再灌注损伤、慢性肾小球肾炎、内毒素性休克和成人呼吸窘迫综合征。
• Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：US08129401B2

  公开（公告）日：2012-03-06

  The present invention relates to novel Phosphodiesterase type 4 (PDE4) inhibitors of the formula (1) and analogs, tautomers, enantiomers, diasteromers, regioisomers, stereoisomers, polymorphs, pharmaceutically acceptable salts, appropriate N-oxides, pharmaceutically acceptable solvates thereof and the pharmaceutical compositions containing them which are useful in the treatment of allergic and inflammatory diseases including asthma, chronic bronchitis, atopic dermatitis, urticaria, allergic rhinitis, allergic conjunctivitis, vernal conjuctivitis, eosinophilic granuloma, psoriasis, rheumatoid arthritis, septic shock, ulcerative colitis, Crohn's disease, reperfusion injury of the myocardium and reperfusion injury of the brain, chronic glomerulonephritis, endotoxic shock and adult respiratory distress syndrome.

  本发明涉及式（1）及其类似物、互变异构体、对映异构体、立体异构体、区域异构体、多晶形态、药学上可接受的盐、适当的N-氧化物、药学上可接受的溶剂化物及其制备的药物组合物。该组合物可用于治疗过敏和炎症性疾病，包括哮喘、慢性支气管炎、特应性皮炎、荨麻疹、过敏性鼻炎、过敏性结膜炎、春季结膜炎、嗜酸性肉芽肿、银屑病、类风湿性关节炎、感染性休克、溃疡性结肠炎、克隆氏病、心肌再灌注损伤和脑再灌注损伤、慢性肾小球肾炎、内毒素性休克和成人呼吸窘迫综合征。
• Substituted benzo[4,5]furo[3,2-c]pyridine derivatives as PDE 4 inhibitors
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：US07943634B2

  公开（公告）日：2011-05-17

  The present invention relates to novel Phosphodiesterase type 4 (PDE4) inhibitors of the formula (1) and analogs, tautomers, enantiomers, diasteromers, regioisomers, stereoisomers, polymorphs, pharmaceutically acceptable salts, appropriate N-oxides, pharmaceutically acceptable solvates thereof and the pharmaceutical compositions containing them which are useful in the treatment of allergic and inflammatory diseases including asthma, chronic bronchitis, atopic dermatitis, urticaria, allergic rhinitis, allergic conjunctivitis, vernal conjunctivitis, eosinophilic granuloma, psoriasis, rheumatoid arthritis, septic shock, ulcerative colitis, Crohn's disease, reperfusion injury of the myocardium and reperfusion injury of the brain, chronic glomerulonephritis, endotoxic shock and adult respiratory distress syndrome.

  本发明涉及式（1）及其类似物、互变异构体、对映异构体、二对映异构体、区域异构体、立体异构体、多晶形、药学上可接受的盐、相应的N-氧化物、药学上可接受的溶剂化物以及含有它们的制药组合物，用于治疗过敏性和炎症性疾病，包括哮喘、慢性支气管炎、特应性皮炎、荨麻疹、过敏性鼻炎、过敏性结膜炎、春季结膜炎、嗜酸性肉芽肿、牛皮癣、类风湿性关节炎、败血症休克、溃疡性结肠炎、克隆氏病、心肌再灌注损伤和脑再灌注损伤、慢性肾小球肾炎、内毒素性休克和成人呼吸窘迫综合征。
• Transformation of a Dopamine D₂ Receptor Agonist to Partial Agonists as Novel Antipsychotic Agents
  作者：Ruiquan Liu、Jianzhong Qi、Huan Wang、Luyu Fan、Pei Zhang、Jing Yu、Liang Tan、Sheng Wang、Jianjun Cheng

  DOI：10.1021/acs.jmedchem.3c00098

  日期：2023.5.11

  protein-coupled receptors can exert a spectrum of modulating effects, varying from full agonists and partial agonists to antagonists and inverse agonists. For the dopamine D2 receptor (D2R), partial agonist activity is the pharmacological feature of the third-generation antipsychotics, including aripiprazole, brexpiprazole, and cariprazine. Started from a benzofuran-derived D2R full agonist O4LE6 (4), which

  G蛋白偶联受体的设计配体可以发挥一系列调节作用，从完全激动剂和部分激动剂到拮抗剂和反向激动剂。对于多巴胺D 2受体(D 2 R)，部分激动剂活性是第三代抗精神病药的药理学特征，包括阿立哌唑、brexpiprmaze和卡利拉嗪。以我们前期研究中基于结构的方法鉴定出的苯并呋喃衍生的D 2 R全激动剂O 4 LE 6 ( 4 )为出发点，通过引入不同的尾部，设计合成了一系列D 2 R部分激动剂组。其中，化合物10b在 D 2 R 药理学测定中显示出优异的活性。使用结构刚性化方法的进一步优化导致了脑渗透化合物29c和29d的发现，它们在小鼠过度运动模型中表现出有效的抗精神病作用。化合物29c还在大鼠中表现出优异的药物样药代动力学特性，并且有资格作为值得进一步评估的抗精神病药物。