雷西奈德杂质 | 2129551-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 雷西奈德杂质
• 英文名称: Unii-KS8G8KZ1NF
• 英文别名: 2-[[5-bromo-4-(4-cyclopropyl-5,6-dihydroxy-5,6-dihydronaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
• CAS: 2129551-55-7
• 化学式: C₁₇H₁₆BrN₃O₄S
• 分子量: 438.3
• InChiKey: ZCQKHGJASDTLHR-UHFFFAOYSA-N

物化性质

• 沸点：
  712.2±70.0 °C(Predicted)
• 密度：
  1.91±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  134
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• HALOGENATED COMPOUND AND AXIALLY CHIRAL ISOMER THEREOF
  申请人：Medshine Discovery Inc.

  公开号：EP3473617A1

  公开（公告）日：2019-04-24

  A halogenated compound, an axially chiral isomer thereof, and an application thereof in preparing drugs for disorders closely related to aberrant levels of uric acid.

  一种卤代化合物、其轴向手性异构体及其在制备治疗与尿酸水平异常密切相关的疾病的药物中的应用。
• CRYSTAL AND SALT OF 4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE COMPOUND AND PREPARATION METHOD THEREFOR
  申请人：Medshine Discovery Inc.

  公开号：EP3725781A1

  公开（公告）日：2020-10-21

  Disclosed are a crystal of a 4-(naphthalene-1-yl)-4H-1,2,4-triazole compound (1) and a preparation method therefor, also comprised are applications of the crystal in preparing a medicament for treating an abnormal uric acid level-related disease.

  本发明公开了一种 4-(萘-1-基)-4H-1,2,4-三唑化合物 (1) 的晶体及其制备方法，还包括该晶体在制备治疗尿酸水平异常相关疾病的药物中的应用。
• ATROPISOMERS OF TRIAZOLE DERIVATIVE
  申请人：ARDEA BIOSCIENCES, INC.

  公开号：US20170319552A1

  公开（公告）日：2017-11-09

  Atropisomers of 2-(5-bromo-4-(4-cyclopropyl naphthalen-1-yl)-4H- 1,2,4-triazol-3-ylthio)acetic acid are described. Pharmaceutical compositions and the uses of such compounds, compound forms, and compositions for the treatment of a variety of diseases and conditions are also presented.
• [EN] ATROPISOMERS OF TRIAZOLE DERIVATIVE<br/>[FR] ATROPISOMÈRES DE DÉRIVÉ TRIAZOLE
  申请人：ARDEA BIOSCIENCES INC

  公开号：WO2017147270A1

  公开（公告）日：2017-08-31

  Atropisomers of 2-(5-bromo-4-(4-cyclopropyl naphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid are described. Pharmaceutical compositions and the uses of such compounds, compound forms, and compositions for the treatment of a variety of diseases and conditions are also presented.