2-Methoxymethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester | 711012-10-1

• 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-Methoxymethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
• 英文别名: Methyl 2-(methoxymethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate；methyl 2-(methoxymethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• CAS: 711012-10-1
• 化学式: C₁₆H₂₃BO₆
• 分子量: 322.166
• InChiKey: OUSDMRUZBPIOOO-UHFFFAOYSA-N

物化性质

• 沸点：
  432.9±45.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.76
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Methoxymethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester 在 吡啶 、 盐酸 、 1,1'-双(二苯基膦)二茂铁 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium phosphate 、 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 lithium aluminium tetrahydride 、 氢氟酸 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 45.0h， 生成 和厚朴酚
  参考文献：
  名称：

  Efficient synthesis and structure–activity relationship of honokiol, a neurotrophic biphenyl-type neolignan

  摘要：

  Honokiol, a biphenyl-type neolignan, which shows the remarkable neurotrophic effect in primary cultured rat cortical neurons, has been effectively synthesized in 21% yield over 14 steps starting from 5-bromosalicylic acid and p-hydroxybenzoic acid by utilizing Pd-catalyzed Suzuki-Miyaura coupling reaction as a key step. Additionally, the structure-activity relationship between neurite outgrowth-promoting activity and its O-methylated and/or its hydrogenated analogues was examined in the primary cultures of fetal rat cortical neurons, suggesting that 5-allyl and T-hydroxyl groups are essential for affecting the neurotrophic activity of honokiol. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.067
• 作为产物：
  描述：

  5-溴水杨酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 氯化亚砜 、 potassium acetate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 33.5h， 生成 2-Methoxymethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
  参考文献：
  名称：

  SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS

  摘要：

  揭示了用于治疗或预防与蛋白质突变相关的疾病或障碍的化合物、组合物和方法。

  公开号：

  US20210371403A1

文献信息

• METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY
  申请人：Jnana Therapeutics, Inc.

  公开号：US20210299070A1

  公开（公告）日：2021-09-30

  Disclosed are methods of treating creatine transporter deficiency, comprising administering to a mammal in need thereof a therapeutically effective amount of a compound that increases transport of a substrate by a mutant or wild-type creatine transporter. Also disclosed are methods of increasing transport of guanidinoacetic acid or a salt thereof across the blood-brain barrier of a mammal, and methods of decreasing accumulation or the concentration of guanidinoacetic acid or a salt thereof in a mammalian cell.

  揭示了治疗肌酸转运蛋白缺乏症的方法，包括向需要的哺乳动物施用增加突变型或野生型肌酸转运蛋白对底物转运的化合物的治疗有效量。还披露了增加鸟氨酸乙酸或其盐跨越哺乳动物血脑屏障的方法，以及减少哺乳动物细胞中鸟氨酸乙酸或其盐的积累或浓度的方法。
• Bioorg. Med. Chem. Lett. 2004. 14, 2621-2625
  作者：

  DOI：——

  日期：——
• SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS
  申请人：Jnana Therapeutics, Inc.

  公开号：US20210371403A1

  公开（公告）日：2021-12-02

  Disclosed are compounds, compositions, and methods useful for treating or preventing a disease or disorder associated with a mutation in a protein.

  揭示了用于治疗或预防与蛋白质突变相关的疾病或障碍的化合物、组合物和方法。
• Efficient synthesis and structure–activity relationship of honokiol, a neurotrophic biphenyl-type neolignan
  作者：Tomoyuki Esumi、Gouki Makado、Haifeng Zhai、Yasuhiro Shimizu、Yasuhide Mitsumoto、Yoshiyasu Fukuyama

  DOI：10.1016/j.bmcl.2004.02.067

  日期：2004.5

  Honokiol, a biphenyl-type neolignan, which shows the remarkable neurotrophic effect in primary cultured rat cortical neurons, has been effectively synthesized in 21% yield over 14 steps starting from 5-bromosalicylic acid and p-hydroxybenzoic acid by utilizing Pd-catalyzed Suzuki-Miyaura coupling reaction as a key step. Additionally, the structure-activity relationship between neurite outgrowth-promoting activity and its O-methylated and/or its hydrogenated analogues was examined in the primary cultures of fetal rat cortical neurons, suggesting that 5-allyl and T-hydroxyl groups are essential for affecting the neurotrophic activity of honokiol. (C) 2004 Elsevier Ltd. All rights reserved.