4-羟基-1-[3-(三氟甲基)苯基]-1,8-二氮杂萘-2-酮 | 115892-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 4-羟基-1-[3-(三氟甲基)苯基]-1,8-二氮杂萘-2-酮
• 英文名称: 4-hydroxy-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2(1H)-one
• 英文别名: 4-hydroxy-1-(3-trifluoromethylphenyl)-1,8-naphthyridin-2(1H)-one；4-hydroxy-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one
• CAS: 115892-07-4
• 化学式: C₁₅H₉F₃N₂O₂
• 分子量: 306.244
• InChiKey: WNVRBYHNGKGZNG-UHFFFAOYSA-N

物化性质

• 熔点：
  295-297 °C(Solv: ethanol (64-17-5))
• 沸点：
  457.1±45.0 °C(Predicted)
• 密度：
  1.508±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-羟基-1-[3-(三氟甲基)苯基]-1,8-二氮杂萘-2-酮 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以66%的产率得到4-chloro-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2(1H)-one
  参考文献：
  名称：

  Compounds and their use to treat diabetes and related disorders

  摘要：

  本发明通常涉及本文所述的化合物。更具体地，本发明涉及含有这些化合物的化合物和药物组合物。本发明的方法包括给予本发明的化合物以治疗糖尿病和相关疾病。

  公开号：

  US20060094714A1
• 作为产物：
  描述：

  ethyl 3-oxo-3-(2-{[3-(trifluoromethyl)phenyl]amino}-3-pyridinyl)propanoate 在 desired product 、 乙酸乙酯 、 邻二甲苯 作用下， 以 邻二甲苯 为溶剂， 反应 50.0h， 以Totally, 2 g of desired product (65%) was obtained的产率得到4-羟基-1-[3-(三氟甲基)苯基]-1,8-二氮杂萘-2-酮
  参考文献：
  名称：

  Compounds and their use to treat diabetes and related disorders

  摘要：

  本发明通常涉及所述化合物。更具体地，本发明涉及含有这些化合物的化合物和药物组成物。本发明的方法包括给予本发明的化合物治疗糖尿病和相关疾病。

  公开号：

  US20060094714A1

文献信息

• HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF
  申请人：Choi Soongyu

  公开号：US20100069380A1

  公开（公告）日：2010-03-18

  Provided herein are compounds that modulate the activity of a bacterial peptidyl tRNA hydrolase, including compositions and dosage forms comprising the compounds. Further provided herein are methods for screening and identifying compounds that modulate the activity of a bacterial peptidyl tRNA hydrolase. In particular, provided herein are assays for the identification of compounds that inhibit or reduce the activity of a bacterial peptidyl tRNA hydrolase. The methods provided herein provide a simple, sensitive assay for high-throughput screening of libraries of compounds to identify pharmaceutical leads useful for preventing, treating, and managing a bacterial infection or one or more symptoms thereof. Further provided herein are methods for preventing or inhibiting bacterial proliferation as well as methods for preventing, treating, and/or managing a bacterial infection using such compounds and compositions.

  本文提供了调节细菌肽基tRNA水解酶活性的化合物，包括含有这些化合物的组合物和剂型。此外，本文还提供了筛选和鉴定调节细菌肽基tRNA水解酶活性的化合物的方法。具体而言，本文提供了用于鉴定抑制或减少细菌肽基tRNA水解酶活性的化合物的测定方法。本文提供的方法为高通量筛选化合物库以识别有用于预防、治疗和管理细菌感染或其一种或多种症状的药物前导化合物提供了简单、敏感的测定方法。此外，本文还提供了使用这些化合物和组合物预防或抑制细菌增殖的方法，以及预防、治疗和/或管理细菌感染的方法。
• Heterocycle compound, and production process and application thereof
  申请人：Aska Pharmaceutical Co., Ltd.

  公开号：US08193356B2

  公开（公告）日：2012-06-05

  The compound of the present invention is a novel compound which has a specific heterocycle skeleton, particularly a pyrazolonaphthyridine or pyrazoloquinoline skeleton having an organic group (e.g., a carbocycle and a heterocycle) bonding through an alkylene group at 3-position and a carbocycle bonding at 5-position and has a phosphodiesterase IV inhibitory activity. At least one of the ring (the carbocycle or the heterocycle) bonding at 3-position of the pyrazolonaphthyridine skeleton and the carbocycle bonding at 5-position may have a halogenated alkyl group and/or a halogenated alkoxy group as a substituent. Such a compound or a salt thereof is useful as a phosphodiesterase IV inhibitor and the like. According to the present invention, a novel compound having a high phosphodiesterase IV inhibitory effect can be provided.

  本发明的化合物是一种具有特定杂环骨架的新型化合物，特别是具有通过3位的烷基与5位的碳环键合的有机基团（例如，碳环和杂环）的吡唑啉萘或吡唑喹啉骨架，并具有磷酸二酯酶IV抑制活性。在吡唑啉萘骨架的3位和5位的碳环键合中，至少一个环（碳环或杂环）可能具有卤代烷基和/或卤代烷氧基作为取代基。这样的化合物或其盐对于磷酸二酯酶IV抑制剂等具有用途。根据本发明，可以提供一种具有高磷酸二酯酶IV抑制效果的新型化合物。
• Heterocycle Compound, and Production Process and Application Thereof
  申请人：Kanazawa Hashime

  公开号：US20090131467A1

  公开（公告）日：2009-05-21

  The compound of the present invention is a novel compound which has a specific heterocycle skeleton, particularly a pyrazolonaphthyridine or pyrazoloquinoline skeleton having an organic group (e.g., a carbocycle and a heterocycle) bonding through an alkylene group at 3-position and a carbocycle bonding at 5-position and has a phosphodiesterase IV inhibitory activity. At least one of the ring (the carbocycle or the heterocycle) bonding at 3-position of the pyrazolonaphthyridine skeleton and the carbocycle bonding at 5-position may have a halogenated alkyl group and/or a halogenated alkoxy group as a substituent. Such a compound or a salt thereof is useful as a phosphodiesterase IV inhibitor and the like. According to the present invention, a novel compound having a high phosphodiesterase IV inhibitory effect can be provided.

  本发明的化合物是一种新型化合物，具有特定的杂环骨架，特别是具有通过3位的烷基与5位的碳环键合的有机基团（例如，碳环和杂环）的吡唑萘啶或吡唑喹啉骨架，并具有磷酸二酯酶IV抑制活性。在吡唑萘啶骨架的3位键合的环（碳环或杂环）和5位键合的碳环中，至少有一个可以具有卤代烷基和/或卤代烷氧基作为取代基。这种化合物或其盐可用作磷酸二酯酶IV抑制剂等。根据本发明，可以提供一种具有高磷酸二酯酶IV抑制效果的新型化合物。
• Antiallergy agents. 1. Substituted 1,8-naphthyridin-2(1H)-ones as inhibitors of SRS-A release
  作者：Margaret H. Sherlock、James J. Kaminski、Wing C. Tom、Joe F. Lee、Shing Chun Wong、William Kreutner、Robert W. Bryant、Andrew T. McPhail

  DOI：10.1021/jm00119a010

  日期：1988.11

  A novel class of antiallergy agents, the substituted 1,8-naphthyridin-2(1H)-ones, is described. The present compounds are orally active, potent inhibitors of allergic and nonallergic bronchospasm in animal models. Structure-activity studies of the lead compound in this series, 1-phenyl-3-n-butyl-4-hydroxynaphthyridin-2(1H)-one (11), identified three compounds of interest, 1-phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one (12), 1-(3'-chlorophenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H )-one (87), and 1-(3'-methoxyphenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1 H)-one (89). The mechanism of antiallergy activity may involve inhibition of the release of the sulfidopeptide leukotrienes. 1-Phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one, Sch 33303 (12), was selected for preclinical development as an antiallergy agent.
• HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF
  申请人：ASKA Pharmaceutical Co., Ltd.

  公开号：EP1925617B1

  公开（公告）日：2012-11-14