2-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbonitrile | 99842-56-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbonitrile
• 英文别名: 2-hydroxy-1,2,3,4-tetrahydro-[2]naphthonitrile；2-Hydroxy-1,2,3,4-tetrahydro-[2]naphthonitril；2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
• CAS: 99842-56-5
• 化学式: C₁₁H₁₁NO
• 分子量: 173.214
• InChiKey: MGJCDHWMRUMODY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbonitrile 、 alkaline earth salt of/the/ methylsulfuric acid 在 氨 、 苯 作用下， 生成 3',4'-dihydro-1'H-spiro[imidazolidine-4,2'-naphthalene]-2,5-dithione
  参考文献：
  名称：

  Faust et al., Journal of the American Pharmaceutical Association (1912), 1957, vol. 46, p. 118,122

  摘要：

  DOI：
• 作为产物：
  描述：

  β-四氢萘酮 在 盐酸 、 cesium fluoride 作用下， 以 水 、 乙腈 为溶剂， 反应 17.0h， 生成 2-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbonitrile
  参考文献：
  名称：

  螺环结构的5-甲基吗啉-3-氨基-2-唑烷基酮 抗原、抗体及制备与应用

  摘要：

  本发明公开了一种螺环结构限定性5‑甲基吗啉‑3‑氨基‑2‑唑烷基酮抗原、抗体及其制备方法与应用。本发明首先对5‑甲基吗啉‑3‑氨基‑2‑唑烷基酮分子结构进行改造，合成了含螺环结构的5‑甲基吗啉‑3‑氨基‑2‑唑烷基酮半抗原，并以此基础制备了5‑甲基吗啉‑3‑氨基‑2‑唑烷基酮人工抗原和抗体，效价高、检测效率高；克服了传统仪器法存在周期长、专业性强、成本高，不适宜现场大批量快速检测等缺点问题。本发明的抗原抗体合成过程简单、成本低，为开发出成本低廉、检测效率高、操作简便的酶联免疫快速检测工具，奠定了基础。

  公开号：

  CN108047156B

文献信息

• [EN] SPIRO-OXAZOLONES<br/>[FR] SPIRO-OXAZOLONES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015091411A1

  公开（公告）日：2015-06-25

  The present invention provides spiro-oxazolones, which act as V1a receptor modulators, and in particular as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use as medicaments. The present compounds are useful as therapeutics acting peripherally and centrally in the conditions of inappropriate secretion of vasopressin, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, aggressive behavior and phase shift sleep disorders, in particular jetlag.

  本发明提供了螺环噁唑酮，其作为V1a受体调节剂，特别是作为V1a受体拮抗剂，其制备方法，含有它们的药物组合物以及它们作为药物的用途。本化合物在外周和中枢作用下，对于不当分泌加压素、焦虑、抑郁症、强迫症、自闭症谱系障碍、精神分裂症、攻击性行为和相位转移性睡眠障碍，特别是时差反应等症状的治疗具有用处。
• Spiro-oxazolones
  申请人：Hoffmann-La Roche Inc.

  公开号：US10479796B2

  公开（公告）日：2019-11-19

  The present invention provides spiro-oxazolones, which act as V1a receptor modulators, and in particular as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use as medicaments. The present compounds are useful as therapeutics acting peripherally and centrally in the conditions of inappropriate secretion of vasopressin, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, aggressive behavior and phase shift sleep disorders, in particular jetlag.

  本发明提供了作为 V1a 受体调节剂，特别是作为 V1a 受体拮抗剂的螺噁唑酮类化合物、其制造方法、含有它们的药物组合物及其作为药物的用途。在血管加压素分泌不当、焦虑、抑郁障碍、强迫症、自闭症谱系障碍、精神分裂症、攻击行为和相移睡眠障碍（尤其是时差）等情况下，本化合物可作为外周和中枢作用的治疗药物。
• 4-Benzyloxy-γ-Sultone Derivatives: Discovery of a Novel Family of Non-Nucleoside Inhibitors of Human Cytomegalovirus and Varicella Zoster Virus
  作者：Sonia De Castro、Carlos García-Aparicio、Graciela Andrei、Robert Snoeck、Jan Balzarini、María-José Camarasa、Sonsoles Velázquez

  DOI：10.1021/jm8014662

  日期：2009.3.26

  We report the synthesis and antiviral activity of a new family of non-nucleoside antivirals, derived from the 4-keto-1,2-oxathiole-2,2-dioxide (beta-keto-gamma-sultone) heterocyclic system. Several 4- and 5-substituted-5H-1,2-oxathiole-2,2-dioxide derivatives were found to have a selective inhibitory activity against human cytomegalovirus (HCMV) and varicella zoster virus (VZV) replication in vitro, being inactive against a variety of other DNA and RNA viruses. A structure-activity relationship (SAR) study showed that the presence of a benzyl at the 5 position and a benzyloxy substituent at the 4 position are a prerequisite for anti-HCMV and VZV activity. The novel compounds do not show cross-resistance against a wide variety of mutant drug-resistant HCMV strains, pointing to a novel mechanism of antiviral action.
• SPIRO-OXAZOLONES
  申请人：F.Hoffmann-La Roche AG

  公开号：EP3083633A1

  公开（公告）日：2016-10-26
• REVERSED BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS
  申请人：McCormick Kevin D.

  公开号：US20130079271A1

  公开（公告）日：2013-03-28

  In its many embodiments, the present invention provides a novel class of biaryl spiroaminooxazoline analogues as modulators of α2C adrenergic receptor agonists, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more conditions associated with the α2C adrenergic receptors using such compounds or pharmaceutical compositions.