2-chloro-5-cyanobenzo[d]oxazole | 114997-92-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-chloro-5-cyanobenzo[d]oxazole
• 英文别名: 2-chloro-5-cyanobenzoxazole；2-chloro-benzooxazole-5-carbonitrile；2-chlorobenzooxazole-5-carbonitrile；2-Chloro-1,3-benzoxazole-5-carbonitrile
• CAS: 114997-92-1
• 化学式: C₈H₃ClN₂O
• 分子量: 178.578
• InChiKey: YXXCZHJSELQADZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-5-cyanobenzo[d]oxazole 在 sodium hydroxide 、 一水合肼 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 2-[Amino(2-cyanoethyl)amino]-1,3-benzoxazole-5-carbonitrile
  参考文献：
  名称：

  3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile derivatives: inhibitors of immune complex induced inflammation

  摘要：

  3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile derivatives were evaluated in the dermal and pleural reverse passive Arthus reactions in the rat. In the pleural test these compounds were effective in reducing exudate volume and accumulation of white blood cells. This pattern of activity was similar to that of hydrocortisone and different from that of indomethacin. The structural requirements for inhibiting the Arthus reactions were studied by systematic chemical modification of 1. These structure-activity relationship studies revealed that nitrogen 1' of the hydrazino group is essential for activity and must be electron rich, whereas chemical modifications of other sites of 1 had only a modest effect on activity.

  DOI：

  10.1021/jm00117a010
• 作为产物：
  描述：

  2-mercaptobenzo[d]oxazole-5-carbonitrile 在 氯化亚砜 作用下， 反应 22.0h， 以7.2 g的产率得到2-chloro-5-cyanobenzo[d]oxazole
  参考文献：
  名称：

  一种苯并[d]恶唑衍生物的制备方法

  摘要：

  本发明公开了一种苯并[d]恶唑衍生物2‑氯苯并[d]恶唑‑5‑甲酰胺的制备方法，以2‑硝基‑4‑氰基苯酚为起始原料，经过还原、关环、氯化、水解得到目标产物，该化合物是重要的医药中间体。

  公开号：

  CN106588808A

文献信息

• Preparation and use of aryl alkyl acid derivatives for the treatment of obesity
  申请人：Bayer Pharmaceuticals Corporation

  公开号：US20040224997A1

  公开（公告）日：2004-11-11

  This invention relates to certain aryl alkyl acid compounds, compositions, and methods for treating or preventing obesity and related diseases.

  这项发明涉及某些芳基烷基酸化合物、组合物以及治疗或预防肥胖和相关疾病的方法。
• [EN] ANTIBIOTIC COMPOUNDS<br/>[FR] COMPOSÉS ANTIBIOTIQUES
  申请人：DISCUVA LTD

  公开号：WO2018037223A1

  公开（公告）日：2018-03-01

  The present invention relates to antibiotic compounds of formula (I), to compositions containing these compounds and to methods of treating bacterial diseases and infections using the compounds. The compounds find application in the treatment of infection with, and diseases caused by, Gram-positive and/or Gram-negative bacteria, and in particular in the treatment of infection with, and diseases caused by, Neisseria gonorrhoeae.

  本发明涉及公式（I）的抗生素化合物，含有这些化合物的组合物，以及使用这些化合物治疗细菌性疾病和感染的方法。这些化合物在治疗革兰氏阳性和/或革兰氏阴性细菌引起的感染和疾病方面具有应用，特别是在治疗由淋病奈瑟菌引起的感染和疾病方面。
• Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives
  申请人：Binggeli Alfred

  公开号：US20060205718A1

  公开（公告）日：2006-09-14

  This invention is concerned with compounds of the formula wherein A, B 1 , B 2 , R 1 , R 2 and G are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The invention further relates to pharmaceutical compositions containing such compounds, to a process for their preparation and to their use for the treatment and/or prevention of diseases which are associated with the modulation of SST receptors subtype 5.

  这项发明涉及以下式的化合物 其中A、B 1 、B 2 、R 1 、R 2 和G如描述和索赔中所定义，并其药学上可接受的盐。该发明还涉及含有这种化合物的药物组合物，以及用于制备它们的方法和它们用于治疗和/或预防与调节SST受体亚型5相关的疾病的用途。
• 一种苯并[d]恶唑衍生物的制备方法
  申请人：长沙深橙生物科技有限公司

  公开号：CN106588808A

  公开（公告）日：2017-04-26

  本发明公开了一种苯并[d]恶唑衍生物2‑氯苯并[d]恶唑‑5‑甲酰胺的制备方法，以2‑硝基‑4‑氰基苯酚为起始原料，经过还原、关环、氯化、水解得到目标产物，该化合物是重要的医药中间体。
• Proline derivatives and use thereof as drugs
  申请人：Kitajima Hiroshi

  公开号：US20050245538A1

  公开（公告）日：2005-11-03

  The present invention aims at providing compounds having therapeutic effects due to a DPP-IV inhibitory action, and satisfactory as pharmaceutical products. The present inventors have found that derivatives having a substituent introduced into the γ-position of proline represented by the formula (I) wherein each symbol is as defined in the specification, have a potent DPP-IV inhibitory activity, and completed the present invention by increasing the stability.

  本发明旨在提供具有治疗效果的化合物，其作用是通过DPP-IV的抑制作用，并且作为药物产品具有令人满意的效果。本发明人发现，在丙氨酸的γ位上引入取代基的衍生物具有强效的DPP-IV抑制活性，并通过增加稳定性完成了本发明。