2,2-bis-(4-methoxyphenyl)acetic acid | 4541-73-5

• 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: 2,2-bis-(4-methoxyphenyl)acetic acid
• 英文别名: bis(4-methoxyphenyl)acetic acid；Bis-<4-methoxy-phenyl>-essigsaeure；4.4'-Dimethoxy-diphenylessigsaeure；4-Methoxy-α-(4-methoxyphenyl)benzeneacetic acid；2,2-Bis(4-methoxyphenyl)acetic acid
• CAS: 4541-73-5
• 化学式: C₁₆H₁₆O₄
• 分子量: 272.301
• InChiKey: LZASYCDJCJCVCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2,2-bis-(4-methoxyphenyl)acetic acid 在 氧气 、 mercury(II) oxide 作用下， 以 甲醇 、 乙腈 为溶剂， 以92%的产率得到4,4'-二甲氧基二苯甲酮
  参考文献：
  名称：

  Habibi, Mohammad H.; Farhadi, Saeid, Journal of Chemical Research, 2004, # 4, p. 296 - 297

  摘要：

  DOI：
• 作为产物：
  描述：

  2-羟基-2-(4-甲氧基苯基)乙腈 在 氢氧化钾 、 硫酸 作用下， 生成 2,2-bis-(4-methoxyphenyl)acetic acid
  参考文献：
  名称：

  Bistrzycki; Paulus; Perrin, Chemische Berichte, 1911, vol. 44, p. 2605

  摘要：

  DOI：

文献信息

• The Influence of Growth Hormone Deficiency, Growth Hormone Replacement Therapy, and Other Aspects of Hypopituitarism on Fracture Rate and Bone Mineral Density
  作者：Christian Wüster、Roger Abs、Bengt-Åke Bengtsson、Helge Bennmarker、Ulla Feldt-Rasmussen、Elizabeth Hernberg-Ståhl、John P. Monson、Bjørn Westberg、Patrick Wilton

  DOI：10.1359/jbmr.2001.16.2.398

  日期：——

  To assess the influence of factors affecting fracture risk and bone density in adult hypopituitary patients with growth hormone deficiency (GHD), data from a large‐scale pharmacoepidemiological survey (the Pharmacia & Upjohn International Metabolic Database [KIMS]) were analyzed and compared with data from a control population (the European Vertebral Osteoporosis Study [EVOS]). The KIMS group consisted of 2084 patients (1112 men and 972 women) with various types of pituitary disease and EVOS consisted of 1176 individuals (581 men and 595 women). Fracture and bone mineral density (BMD) data were available from 2024 patients from the KIMS group and 392 patients from EVOS. The prevalence of fractures in patients with hypopituitarism was 2.66 times that in the non‐GH‐deficient EVOS population. Adult‐onset hypopituitarism with GHD was associated with a higher fracture risk than childhood‐onset disease, and patients with isolated GHD had a similar prevalence of fractures to those with multiple pituitary hormone deficiencies. Hormonal replacement therapy with L‐thyroxine, glucocorticoids, and sex steroids did not affect the risk of fracture in KIMS patients. In addition, fracture rates in KIMS were independent of body mass index (BMI) and the country of origin. However, smoking was associated with a higher fracture rate in this group. In summary, this is the first large‐scale analysis to support the hypothesis of an increased fracture risk in adult patients with hypopituitarism and GHD. This increased risk appears to be attributable to GHD alone, rather than to other pituitary hormone deficiencies or to their replacement therapy.

  为了评估影响成年垂体功能减退症患者骨折风险和骨密度的因素，特别是生长激素缺乏症（GHD）的影响，我们分析了一项大规模药物流行病学调查（法玛西亚与安万特国际代谢数据库[KIMS]）的数据，并与对照人群（欧洲椎骨骨质疏松症研究[EVOS]）的数据进行了比较。KIMS组包括2084名患者（1112名男性和972名女性），他们患有各种类型的垂体疾病，而EVOS组包括1176名个体（581名男性和595名女性）。从KIMS组的2024名患者和EVOS组的392名患者中获得了骨折和骨矿物质密度（BMD）数据。垂体功能减退症患者的骨折发生率是GH非缺乏的EVOS人群的2.66倍。与儿童期发病的疾病相比，成年期发病的垂体功能减退症伴GHD与更高的骨折风险相关，而孤立性GHD患者的骨折发生率与多重垂体激素缺乏症患者的骨折发生率相似。使用L-甲状腺素、糖皮质激素和性激素的激素替代疗法并未影响KIMS患者的骨折风险。此外，KIMS中的骨折率与体重指数（BMI）和原籍国无关。然而，吸烟与该组较高的骨折率相关。总之，这是首次大规模分析支持成年垂体功能减退症和GHD患者骨折风险增加的假设。这种增加的风险似乎仅归因于GHD，而非其他垂体激素缺乏或其替代疗法。
• Structure-Activity Relationship Studies on 6,7-Dimethoxy-2-phenethyl-1,2,3,4-tetrahydroisoquinoline Derivatives as Multidrug Resistance Reversers
  作者：Elisabetta Teodori、Silvia Dei、Gianluca Bartolucci、Maria Grazia Perrone、Dina Manetti、Maria Novella Romanelli、Marialessandra Contino、Nicola Antonio Colabufo

  DOI：10.1002/cmdc.201700239

  日期：2017.8.22

  A series of derivatives were synthesized and studied with the aim to investigate the structure-activity relationships of the two P-glycoprotein (P-gp) modulators elacridar and tariquidar. Then, different aryl-substituted amides were inserted, and to explore the effects of varying the amide function, the corresponding isosteric ester derivatives and some alkylamine analogues were synthesized. The new

  为了研究两种P-糖蛋白（P-gp）调节剂elacridar和tariquidar的结构-活性关系，合成并研究了一系列衍生物。然后，插入不同的芳基取代的酰胺，并探讨改变酰胺功能的影响，合成了相应的等位酯衍生物和一些烷基胺类似物。对新化合物进行了研究，以评估其与其他两种ABC转运蛋白（多药耐药相关蛋白1（MRP-1）和乳腺癌耐药蛋白（BCRP））的P-gp相互作用谱和选择性。对酰胺和酯衍生物对自发或酶促水解的化学稳定性的研究表明，这些化合物在磷酸盐缓冲液和人体血浆中稳定。这项研究使我们能够评估在三个外排泵上三个系列的选择性，并提出定义P-gp相互作用曲线的结构要求。我们确定了两种P-gp底物，一种P-gp抑制剂和三种对BCRP具有活性的酯衍生物，这为开发对该泵具有活性的配体开辟了新的前景。
• Arylamino Esters As P-Glycoprotein Modulators: SAR Studies to Establish Requirements for Potency and Selectivity
  作者：Elisabetta Teodori、Silvia Dei、Elisa Floriddia、Maria Grazia Perrone、Dina Manetti、Maria Novella Romanelli、Marialessandra Contino、Nicola Antonio Colabufo

  DOI：10.1002/cmdc.201500143

  日期：2015.8

  basic aryl‐group‐containing compounds was synthesized with the aim of developing potent and selective P‐glycoprotein (P‐gp) modulators that are able to reverse multidrug resistance (MDR). The natures of the spacer (dicyclohexylamine or dialkylamine) and the aryl moieties were modified to investigate selectivity and the mechanism of P‐gp interaction. The inhibitory activities of the compounds toward P‐gp

  合成了一组碱性的含芳基化合物，目的是开发能够逆转多药耐药性（MDR）的有效和选择性P-糖蛋白（P-gp）调节剂。修饰了间隔基（二环己胺或二烷基胺）和芳基部分的性质，以研究选择性和P-gp相互作用的机理。评估了化合物对P‐gp，多药耐药相关蛋白1（MRP1）和乳腺癌耐药蛋白（BCRP）（与MDR最相关的ATP结合盒（ABC）转运蛋白）的抑制活性。通过三种生物学方法研究了每种化合物的P-gp相互作用机理：表观渗透率（P app）测定Caco-2细胞单层中的（B→A / A→B），ATP细胞耗竭并抑制MDCK-MDR1细胞中的Calcein-AM转运。这些测定使我们能够估计化合物对三个外排泵的选择性，并确定定义P-gp-相互作用曲线的结构要求。发现所有二环己胺衍生物都是P-gp底物，而一种二烷基胺衍生物被证明是P-gp抑制剂。一个顺式/顺式异构体的良好MRP1活性突出表明了它是开发MRP1配体的主要候选对象。
• Nucleic acids encoding microsomal trigyceride transfer protein
  申请人：Bristol-Myers Squibb Company

  公开号：US05595872A1

  公开（公告）日：1997-01-21

  Nucleic acid sequences, particularly DNA sequences, coding for all or part of the high molecular weight subunit of microsomal triglyceride transfer protein, expression vectors containing the DNA sequences, host cells containing the expression vectors, and methods utilizing these materials. The invention also concerns polypeptide molecules comprising all or part of the high molecular weight subunit of microsomal triglyceride transfer protein, and methods for producing these polypeptide molecules. The invention additionally concerns novel methods for preventing, stabilizing or causing regression of atherosclerosis and therapeutic agents having such activity. The invention concerns further novel methods for lowering serum liquid levels and therapeutic agents having such activity.

  核酸序列，特别是编码微粒体三酰甘油转移蛋白高分子量亚基全部或部分的DNA序列，包含DNA序列的表达载体，含有表达载体的宿主细胞，以及利用这些材料的方法。该发明还涉及包含微粒体三酰甘油转移蛋白高分子量亚基全部或部分的多肽分子，以及生产这些多肽分子的方法。该发明还涉及预防、稳定或导致动脉粥样硬化的新方法和具有此类活性的治疗剂。该发明还涉及降低血清液体水平的新方法和具有此类活性的治疗剂。
• Iridium-Catalyzed Intramolecular Oxidative Cyclization of Alkenyl Amides and Alkenoic Acids
  作者：Takahiro Nishimura、Midori Nagamoto、Hideki Yorimitsu

  DOI：10.1055/s-0036-1588435

  日期：2017.9

  Published as part of the Special Topic Modern Cyclization Strategies in Synthesis Abstract An iridium/dppf complex efficiently catalyzed the oxidative cyclization of N-sulfonyl alkenyl amides and alkenoic acids. Electron-deficien­t alkenes were effective as sacrificial hydrogen acceptors. High selectivity of the oxidative cyclization over the competing addition reaction has been realized by the use

  作为专题“现代合成中的环化策略”的一部分发布 抽象的 铱/ dppf络合物可有效催化N-磺酰基烯基酰胺和烯酸的氧化环化。缺电子的烯烃有效地用作牺牲氢受体。通过使用NaI作为添加剂已经实现了在竞争性加成反应中氧化环化的高选择性。 铱/ dppf络合物可有效催化N-磺酰基烯基酰胺和烯酸的氧化环化。缺电子的烯烃有效地用作牺牲氢受体。通过使用NaI作为添加剂已经实现了在竞争性加成反应中氧化环化的高选择性。