ethyl 3-(2,6-dimethylbenzyloxy)-4-methoxybenzoate

• 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: ethyl 3-(2,6-dimethylbenzyloxy)-4-methoxybenzoate
• 英文别名: ethyl 3-[(2,6-dimethylphenyl)methoxy]-4-methoxybenzoate
• 化学式: C₁₉H₂₂O₄
• 分子量: 314.381
• InChiKey: JFQVVQQCMYSNRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-(2,6-dimethylbenzyloxy)-4-methoxybenzoate 在 lithium aluminium tetrahydride 、 sodium azide 、 四溴化碳 、 氯化铵 、 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 24.0h， 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 potassium carbonate 、 对甲苯磺酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 ethyl 3-(2,6-dimethylbenzyloxy)-4-methoxybenzoate
  参考文献：
  名称：

  BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID

  摘要：

  在哺乳动物主体中，通过给予式I的化合物可降低尿酸并增加尿酸的排泄。本发明的化合物的降尿酸作用可用于治疗或预防多种疾病，包括痛风、高尿酸血症、尿酸水平升高但未达到通常诊断为高尿酸血症水平、肾功能障碍、肾结石、心血管疾病、发展心血管疾病的风险、肿瘤溶解综合征、认知障碍、早发性高血压和疟原虫引起的炎症。在式I中，t为0或1；q为0或1；r为0、1或2。R7为氢或具有1至3个碳原子的烷基。R6为氢、羟基、卤素、具有1至3个碳原子的烷基、具有1至3个碳原子的烷氧基、硝基、硫、烷基硫基或氰基。X为C(O)或NH(R8)，其中R8为氢或具有1至3个碳原子的烷基；但当X为C(O)时，r为0且t为0。A为苯基，未取代或由卤素、羟基、甲基、乙基、全氟甲基、甲氧基、乙氧基、全氟甲氧基、硝基和氨基中选择的1或2个基团取代；或者为含有1或2个来自N、S和O的环异原子的5或6元杂环芳烃环，且该杂环芳烃环通过一个环碳原子与式I的剩余部分共价结合；或者为具有3至6个环碳原子的环烷基，其中环烷基未取代或一个或两个环碳原子独立地由甲基或乙基单取代。

  公开号：

  US20170042844A1

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。
• Benzoic acid compounds for reducing uric acid
  申请人：Wellstat Therapeutics Corporation

  公开号：US10085957B2

  公开（公告）日：2018-10-02

  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 I, t is 0 or 1; q is 0 or 1; and r is 0, 1 or 2. R7 is hydrogen or alkyl having from 1 to 3 carbon atoms. R6 is hydrogen, hydroxy, halo, alkyl having from 1 to 3 carbon atoms, alkoxy having from 1 to 3 carbon atoms, nitro, thio, alkylthio, or cyano. X is C(O) or NH(R8) wherein R8 is hydrogen or alkyl having from 1 to 3 carbon atoms; provided that when X is C(O), r is 0 and t is 0. A is phenyl, unsubstituted or substituted by 1 or 2 groups selected from halo, hydroxy, methyl, ethyl, perfluoromethyl, methoxy, ethoxy, perfluoromethoxy, nitro, and amino; or a 5 or 6 membered heteroaromatic 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 of Formula I by a ring carbon; or cycloalkyl having from 3 to 6 ring carbon atoms wherein the cycloalkyl is unsubstituted or one or two ring carbons are independently monosubstituted by methyl or ethyl.

  通过施用式 I 化合物，可降低哺乳动物体内的尿酸并增加尿酸的排泄。本发明化合物的降尿酸作用可用于治疗或预防多种疾病，包括痛风、高尿酸血症、尿酸水平升高但未达到通常诊断高尿酸血症的标准、肾功能障碍、肾结石、心血管疾病、心血管疾病的发病风险、肿瘤溶解综合征、认知障碍、早发性本质性高血压和恶性疟原虫诱发的炎症。 在式 I 中，t 是 0 或 1；q 是 0 或 1；r 是 0、1 或 2。R7 是氢或具有 1 至 3 个碳原子的烷基。R6 是氢、羟基、卤代、具有 1 至 3 个碳原子的烷基、具有 1 至 3 个碳原子的烷氧基、硝基、硫代、烷硫基或氰基。X 为 C(O)或 NH(R8)，其中 R8 为氢或具有 1 至 3 个碳原子的烷基；但当 X 为 C(O)时，r 为 0，t 为 0。A 是苯基，未被取代或被 1 或 2 个选自卤代、羟基、甲基、乙基、全氟甲基、甲氧基、乙氧基、全氟甲氧基、硝基和氨基的基团取代；或具有 1 或 2 个选自 N、S 和 O 的环状杂原子的 5 或 6 位杂芳环，且该杂芳环通过一个环碳与式 I 化合物的其余部分共价结合；或具有 3 至 6 个环状碳原子的环烷基，其中环烷基未被取代或一个或两个环碳独立地被甲基或乙基单取代。
• 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.