[2,2-Dimethyl-3,5-bis(nitrooxymethyl)azepan-1-yl] 2,2-dimethyl-4-nitrooxybutanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: [2,2-Dimethyl-3,5-bis(nitrooxymethyl)azepan-1-yl] 2,2-dimethyl-4-nitrooxybutanoate
• 英文别名: [2,2-dimethyl-3,5-bis(nitrooxymethyl)azepan-1-yl] 2,2-dimethyl-4-nitrooxybutanoate
• 化学式: C16H28N4O11
• 分子量: 452.41
• InChiKey: XWXXFPVCIQWHPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  195
• 氢给体数：
  0
• 氢受体数：
  12

文献信息

• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014135473A1

  公开（公告）日：2014-09-12

  This application discloses compounds according to generic Formula (I) wherein all variables are defined as described herein, which inhibit BTK. The compounds disclosed herein are useful to modulate the activity of BTK and treat diseases associated with excessive BTK activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation such as rheumatoid arthritis. Also disclosed are compositions containing compounds of Formula (I) and at least one carrier, diluent or excipient.

  本申请公开了根据通用式（I）定义的化合物，其中所有变量如本文所述，这些化合物抑制BTK。本文披露的化合物可用于调节BTK的活性并治疗与过度BTK活性相关的疾病。这些化合物还可用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还披露了含有通式（I）化合物和至少一种载体、稀释剂或赋形剂的组合物。
• Method for treating diseases associated with oxidative stress or endothelial dysfunction using substituted 1-pyrrolidinyloxy, 1-piperidinyloxy and 1-azepanyloxy compounds
  申请人：SALZMAN GROUP, INC.

  公开号：US10000455B2

  公开（公告）日：2018-06-19

  A method reduces oxidative stress or endothelial dysfunction in a mammal. The method includes administering to the mammal a compound of formula I: or an enantiomer, diastereomer, racemate, or a pharmaceutically acceptable salt of the compound.

  一种减少哺乳动物氧化应激或内皮功能障碍的方法。 该方法包括向哺乳动物施用式 I 的化合物：或该化合物的对映体、非对映体、外消旋体或药学上可接受的盐。
• INHIBITORS OF BRUTON'S TYROSINE KINASE
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2964647A1

  公开（公告）日：2016-01-13
• PRODRUGS OF MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF
  申请人：Radikal Therapeutics Inc.

  公开号：EP2964218B1

  公开（公告）日：2017-12-20
• METHOD FOR TREATING DISEASES ASSOCIATED WITH OXIDATIVE STRESS OR ENDOTHELIAL DYSFUNCTION
  申请人：RADIKAL THERAPEUTICS INC.

  公开号：US20170327466A1

  公开（公告）日：2017-11-16

  A method reduces oxidative stress or endothelial dysfunction in a mammal. The method includes administering to the mammal a compound of formula I: or an enantiomer, diastereomer, racemate, or a pharmaceutically acceptable salt of the compound.