2,7-dichlorodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione | 936033-52-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,7-dichlorodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione
• 英文别名: 2,7-Dichlorodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione；5,11-dichloro-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
• CAS: 936033-52-2
• 化学式: C₈H₂Cl₂N₄O₂
• 分子量: 257.035
• InChiKey: MHERFZXEWKREHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,7-dichlorodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione 、 2-氯-4-氟苯胺 反应 1.0h， 生成 5-chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
  参考文献：
  名称：

  3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1

  摘要：

  Investigation of 1N-substituted pyrazole-3-carboxanilides as 15-lipoxygenase-1 (15-LOX-1) inhibitors demonstrated that the 1N-substituent was not essential for activity or selectivity. Additional halogen substituents on the pyrazole ring, however, increased activity. Further development led to triazole-4-carboxanilides and 2-(3-pyrazolyl) benzoxazoles, which are potent and selective 15-LOX-1 inhibitors. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.004
• 作为产物：
  描述：

  5-氯-吡唑-3-甲酸 在 氯化亚砜 作用下， 反应 18.0h， 生成 2,7-dichlorodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione
  参考文献：
  名称：

  WO2007/51981

  摘要：

  公开号：

文献信息

• Pyrazoles Useful in the Treatment of Inflammation
  申请人：Pelcman Benjamin

  公开号：US20090143440A1

  公开（公告）日：2009-06-04

  There is provided compounds of formula (I), wherein R 1 , R 2 , X 1 , X 2 and n have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a lipoxygenase (e.g. 15 -lipoxygenase) is desired and/or required, and particularly in the treatment of inflammation.

  提供了公式（I）的化合物，其中R1、R2、X1、X2和n在说明中给出其含义，以及其药学上可接受的盐。这些化合物在治疗需要抑制脂氧合酶（例如15-脂氧合酶）活性的疾病，特别是在治疗炎症方面非常有用。
• WO2007/51981
  申请人：——

  公开号：——

  公开（公告）日：——
• 3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1
  作者：Benjamin Pelcman、Andrei Sanin、Peter Nilsson、Kiyo No、Wesley Schaal、Sara Öhrman、Christian Krog-Jensen、Pontus Forsell、Anders Hallberg、Mats Larhed、Thomas Boesen、Hasse Kromann、Stine Byskov Vogensen、Thomas Groth、Hans-Erik Claesson

  DOI：10.1016/j.bmcl.2015.05.004

  日期：2015.8

  Investigation of 1N-substituted pyrazole-3-carboxanilides as 15-lipoxygenase-1 (15-LOX-1) inhibitors demonstrated that the 1N-substituent was not essential for activity or selectivity. Additional halogen substituents on the pyrazole ring, however, increased activity. Further development led to triazole-4-carboxanilides and 2-(3-pyrazolyl) benzoxazoles, which are potent and selective 15-LOX-1 inhibitors. (C) 2015 Elsevier Ltd. All rights reserved.