1-(2-benzoxazolyl)benzopyrazolone | 2008-01-7

• 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: 1-(2-benzoxazolyl)benzopyrazolone
• 英文别名: [2,3']bi[benzooxazolyl]-2'-one；N-oxazol-2-yl>-3H-benzooxazol-3-on；3-(1,3-Benzoxazol-2-yl)-1,3-benzoxazol-2-one
• CAS: 2008-01-7
• 化学式: C₁₄H₈N₂O₃
• 分子量: 252.229
• InChiKey: BIVWRABDRBWXLJ-UHFFFAOYSA-N

物化性质

• 熔点：
  202-203 °C
• 沸点：
  456.0±28.0 °C(Predicted)
• 密度：
  1.471±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯苯并恶唑 在 tetrabutyl phosphonium hydrogen difluoride 作用下， 反应 24.0h， 以65%的产率得到1-(2-benzoxazolyl)benzopyrazolone
  参考文献：
  名称：

  Uchibori, Yukitaka; Umeno, Masayuki; Yoshioka, Hirosuke, Heterocycles, 1992, vol. 34, # 8, p. 1507 - 1510

  摘要：

  DOI：

文献信息

• METHODS OF TREATING PAIN WITH A THIAZOLINE ANTI-HYPERALGESIC
  申请人：CERSCI THERAPEUTICS, INC.

  公开号：US20200246318A1

  公开（公告）日：2020-08-06

  Methods of treating diabetic neuropathic pain and post-surgical pain are provided. The methods include administering to an individual a therapeutically effective amount of a compound of Formula I (Compound 1). The method can be used to treat diabetic neuropathy arising from any type of nerve damage, and can also be used to treat post-surgical pain arising from any surgical procedure without the side effects associated with widely used analgesics such as opioids. Compound 1 can be formulated into many suitable dosage forms, including oral dosage forms such as tablets.

  本发明提供了治疗糖尿病神经病变性疼痛和术后疼痛的方法。该方法包括向个体施用化合物I (化合物1)的治疗有效量。该方法可用于治疗由于任何类型的神经损伤引起的糖尿病神经病变，还可用于治疗由任何手术程序引起的术后疼痛，而不会出现与广泛使用的镇痛药物如阿片类药物相关的副作用。化合物1可以制成许多适合的剂型，包括口服剂型如片剂。
• Verfahren zur Herstellung von 2,6-Dichlorbenzoxazol
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0153656A1

  公开（公告）日：1985-09-04

  Verfahren zur Herstellung von 2,6-Dichlorbenzoxazol, dadurch gekennzeichnet, daß man 6-Chlorbenzoxazolon in Gemischen aus Chlor, Phosphortrichlorid und Phosphoroxidchlorid bzw. in Gemischen aus Phosphorpentachlorid und Phosphoroxidchlorid bei Temperaturen von 150 bis 170°C unter Druck umsetzt, wobei das Gewichtsverhältnis von Chlor und Phosphortrichlorid zu Phosphoroxidchlorid bzw. von Phosphorpentachlorid zu. Phosphoroxidchlorid 0,16:1 bis 0,60:1 beträgt.

  制备 2,6-二氯苯并恶唑的工艺，其特征在于 6-氯苯并恶唑酮在 150 至 170°C 的温度下，在氯气、三氯化磷和氧氯化磷的混合物或五氯化磷和氧氯化磷的混合物中加压反应，氯气和三氯化磷与氧氯化磷或五氯化磷与氧氯化磷的重量比为 0.16:1 至 0.60:1。
• Manufacturing methods and polymorphs of a thiazoline anti-hyperalgesic agent
  申请人：ACADIA PHARMACEUTICALS INC.

  公开号：US11161826B2

  公开（公告）日：2021-11-02

  Provided herein are methods of making a thiazoline anti-hyperalgesic, Compound 1, and polymorphs thereof. The methods described herein use inexpensive reagents and are capable of providing Compound 1 in commercial-scale quantities. Also provided are pharmaceutical compositions of Compound 1 suitable for human administration.

  本文提供了制造噻唑啉类抗镇痛药化合物 1 及其多晶型物的方法。本文所述方法使用的试剂价格低廉，能够以商业规模提供化合物 1。此外，还提供了适合人体服用的化合物 1 药物组合物。
• METHODS OF TREATING DIABETIC NEUROPATHY WITH A THIAZOLINE ANTI-HYPERALGESIC AGENT
  申请人：CERSCI THERAPEUTICS, INC.

  公开号：US20200246317A1

  公开（公告）日：2020-08-06

  Methods of treating diabetic neuropathy and pain associated with diabetes are provided. The methods include administering to an individual a therapeutically effective amount of a compound of Formula I (Compound 1). The method can be used to treat diabetic neuropathy pain arising from type I or type II diabetes. Compound 1 can be formulated into many suitable dosage forms, including oral dosage forms such as tablets.
• METHODS OF TREATING POST-SURGICAL PAIN WITH A THIAZOLINE ANTI-HYPERALGESIC AGENT
  申请人：CERSCI THERAPEUTICS, INC.

  公开号：US20200246316A1

  公开（公告）日：2020-08-06

  Methods of treating post-surgical pain are provided. The methods include administering to an individual a therapeutically effective amount of a compound of Formula I (Compound 1). The method can be used to treat post-surgical pain arising from any surgical procedure without the side effects associated with widely used analgesics such as opioids. Compound 1 can be formulated into many suitable dosage forms, including oral dosage forms such as tablets.