2-(3-(2,6-dimethylbenzyloxy)-4-methoxyphenyl)acetonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-(2,6-dimethylbenzyloxy)-4-methoxyphenyl)acetonitrile
• 化学式: C₁₈H₁₉NO₂
• 分子量: 281.354
• InChiKey: OOHODHKYLJGOKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  42.25
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(3-(2,6-dimethylbenzyloxy)-4-methoxyphenyl)acetonitrile 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 5-(3-(2,6-dimethylbenzyloxy)-4-methoxybenzyl)-1H-tetrazole
  参考文献：
  名称：

  TETRAZOLE COMPOUNDS FOR REDUCING URIC ACID

  摘要：

  公开号：

  EP2282736B1
• 作为产物：
  描述：

  3-羟基-4-甲氧基苯甲酸 在 lithium aluminium tetrahydride 、 四溴化碳 、 偶氮二甲酸二异丙酯 、 对甲苯磺酸 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 2-(3-(2,6-dimethylbenzyloxy)-4-methoxyphenyl)acetonitrile
  参考文献：
  名称：

  TETRAZOLE COMPOUNDS FOR REDUCING URIC ACID

  摘要：

  公开号：

  EP2282736B1

文献信息

• Tetrazole compounds for reducing uric acid
  申请人：O'Neil James Dennen

  公开号：US08410154B2

  公开（公告）日：2013-04-02

  Uric acid in mammalian subjects is reduced and excretion of uric acid is increased by administering a compound of Formula I. The uric acid-lowering effects of the compounds of this invention are used to treat or prevent a variety of conditions including gout, hyperuricemia, elevated levels of uric acid that do not meet the levels customarily justifying a diagnosis of hyperuricemia, renal dysfunction, kidney stones, cardiovascular disease, risk for developing cardiovascular disease, tumor-lysis syndrome, cognitive impairment, early-onset essential hypertension, and Plasmodium falciparum-induced inflammation. In Formula 1, x is 1 or 2: y is O, 1, 2 or 3; and R1 is selected from the group consisting of hydrogen, alkyl having 1 or 2 carbon atoms, hydroxy, alkoxy having 1 or 2 carbon atoms, fluoro, chloro, bromo, and amino. A is phenyl unsubstituted or substituted by one, two or three groups selected from the group consisting of halo, alkyl having 1 or 2 carbon atoms, perfluoromethyL alkoxy having 1 or 2 carbon atoms, and perfluoromethoxy; or cycloalkyl having from 3 to 6 ring atoms wherein the cycloalky! is unsubstituted or one one two ring carbons are independently mono-substituted by methyl or ethyl; or a 5 or 6 membered heleraromatic ring having 1 or 2 ring heteroatoms selected from N, S and O and the heteroaromatic ring is covalently bound to the remainder of the compound by a ring carbon.

  通过给予化合物I，哺乳动物主体中的尿酸降低并且尿酸的排泄增加。该发明的化合物的降尿酸效果用于治疗或预防各种疾病，包括痛风、高尿酸血症、尿酸水平升高但不符合通常诊断为高尿酸血症的水平、肾功能障碍、肾结石、心血管疾病、发生心血管疾病的风险、肿瘤溶解综合症、认知障碍、早发性原发性高血压和疟原虫引起的炎症。在公式1中，x为1或2：y为O，1，2或3；R1选自羟基、1或2个碳原子的烷基、1或2个碳原子的烷氧基、氟、氯、溴和氨基的群组；A是苯基，未取代或被一个、两个或三个来自卤族、1或2个碳原子的烷基、1或2个碳原子的全氟甲基烷氧基和全氟甲氧基的群组或有3到6个环原子的环烷基，其中环烷基未取代或一个或两个环碳原子单独被甲基或乙基单取代；或有1或2个来自N、S和O的环杂原子的5或6元杂环芳烃环，并且杂芳环通过一个环碳原子与化合物的其余部分共价结合。
• US8410154B2
  申请人：——

  公开号：US8410154B2

  公开（公告）日：2013-04-02
• US8889724B2
  申请人：——

  公开号：US8889724B2

  公开（公告）日：2014-11-18
• [EN] TETRAZOLE COMPOUNDS FOR REDUCING URIC ACID<br/>[FR] COMPOSÉS DE TÉTRAZOLE POUR RÉDUIRE L'ACIDE URIQUE
  申请人：WELLSTAT THERAPEUTICS CORP

  公开号：WO2009134995A2

  公开（公告）日：2009-11-05

  Uric acid in mammalian subjects is reduced and excretion of uric acid is increased by administering a compound of Formula I. The uric acid-lowering effects of the compounds of this invention are used to treat or prevent a variety of conditions including gout, hyperuricemia, elevated levels of uric acid that do not meet the levels customarily justifying a diagnosis of hyperuricemia, renal dysfunction, kidney stones, cardiovascular disease, risk for developing cardiovascular disease, tumor-lysis syndrome, cognitive impairment, early-onset essential hypertension, and Plasmodiumfalciparum-induced inflammation. In Formula 1, x is 1 or 2: y is O, 1, 2 or 3; and R1 is selected from the group consisting of hydrogen, alkyl having 1 or 2 carbon atoms, hydroxy, alkoxy having 1 or 2 carbon atoms, fluoro. chloro, bromo, and amino. A is phenyl unsubstituted or substituted by one, two or three groups selected from the group consisting of halo, alkyl having 1 or 2 carbon atoms. perfluoromethyL alkoxy having 1 or 2 carbon atoms, and perfluoromethoxy; or cycloalkyl having from 3 to 6 ring atoms wherein the cycloalky! is unsubstituted or one one two ring carbons are independently mono-substituted by methyl or ethyl; or a 5 or 6 membered heleraromatic ring having 1 or 2 ring heteroatoms selected from N. S and O and the heteroaromatic ring is covalently bound to the remainder of the compound by a ring carbon.
• TETRAZOLE COMPOUNDS FOR REDUCING URIC ACID
  申请人：Wellstat Therapeutics Corporation

  公开号：EP2282736B1

  公开（公告）日：2015-11-11