2-carboxymethyl-4,6-dimethoxy-benzoic acid | 4778-99-8

• 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-carboxymethyl-4,6-dimethoxy-benzoic acid
• 英文别名: 2-(carboxymethyl)-4,6-dimethoxybenzoic acid；(2-carboxy-3,5-dimethoxyphenyl)acetic acid；2-carboxymethyl-4,6-dimethoxybenzoic acid；3,5-dimethoxyhomophthalic acid；3,5-dimethoxyhomothalic acid；dimethoxyhomophthalic acid
• CAS: 4778-99-8
• 化学式: C₁₁H₁₂O₆
• 分子量: 240.213
• InChiKey: AGUZDPQUSFEZEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-carboxymethyl-4,6-dimethoxy-benzoic acid 在 sodium hydroxide 、 高氯酸 、 乙酸酐 、 三溴化硼 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 2.17h， 生成 saccharonol A
  参考文献：
  名称：

  Lewis, Christopher N.; Staunton, James; Sunter, David C., Journal of the Chemical Society. Perkin transactions I, 1988, p. 747 - 754

  摘要：

  DOI：
• 作为产物：
  描述：

  (2-ethoxycarbonyl-3,5-dimethoxy-phenyl)-acetic acid 在 氢氧化钾 作用下， 生成 2-carboxymethyl-4,6-dimethoxy-benzoic acid
  参考文献：
  名称：

  Bruun,T., Acta Chemica Scandinavica (1947), 1965, vol. 19, p. 1677 - 1693

  摘要：

  DOI：

文献信息

• COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES
  申请人：Wong Norman C.W.

  公开号：US20080188467A1

  公开（公告）日：2008-08-07

  The present disclosure relates to compounds, which are useful for regulating the expression of apolipoprotein A-I (ApoA-I), and their use for treatment and prevention of cardiovascular disease and related disease states, including cholesterol- or lipid-related disorders, such as, for example, atherosclerosis.

  本公开涉及化合物，这些化合物可用于调节载脂蛋白A-I（ApoA-I）的表达，以及它们用于治疗和预防心血管疾病及相关疾病状态，包括胆固醇或脂质相关紊乱，例如，动脉粥样硬化。
• An Anionic Polycondensation Strategy for the Synthesis of Dibenzo­xanthenones: Progress Toward the Synthesis of Hypoxyxylerone
  作者：Yves Gimbert、Emmanuel Chevenier、Christophe Lucatelli、Urvish Pandya、Wei Wang、Andrew Greene

  DOI：10.1055/s-2004-835634

  日期：——

  An anionic polycondensation has been used as the key step in a highly convergent strategy for the preparation of hypoxy­xylerone derivatives.

  一种阴离子缩聚反应已被用作高度收敛策略中的关键步骤，用于制备假氧木酮衍生物。
• TREATMENT OF DISEASES BY EPIGENETIC REGULATION
  申请人：McLure Kevin G.

  公开号：US20130281397A1

  公开（公告）日：2013-10-24

  The present disclosure provides non-naturally occurring polyphenol compounds that inhibit the bromodomain and extra terminal domain (BET) proteins. The disclosed compositions and methods can be used for treatment and prevention of cancer, including NUT midline carcinoma, Burkitt's Lymphoma, Acute Myelogenous Leukemia, and Multiple Myeloma; autoimmune or inflammatory diseases or conditions, and sepsis.

  本公开提供了抑制溴结构域和额外末端结构域（BET）蛋白的非天然存在的多酚化合物。所公开的组合物和方法可用于治疗和预防癌症，包括NUT中线癌、Burkitt淋巴瘤、急性髓系白血病和多发性骨髓瘤；自身免疫或炎症性疾病或症状，以及败血症。
• Synthetic studies on nogalamycin congeners [4]1,2 syntheses amd antitumor activity of various nogalamycin congeners
  作者：Fuyuhiko Matsuda、Motoji Kawasaki、Masako Ohsaki、Kaoru Yamada、Shiro Terashima

  DOI：10.1016/s0040-4020(01)81434-4

  日期：1988.1

  Various structural types of nogalamycin congeners and their partial structures, which had been previously synthesized in the course of our synthetic studies on the total syntheses or were originally produced by employing the explored synthetic scheme, were subjected to in vitro cytotoxicity and in vivo antitumor activity assay against P388 munne leukemia. These studies obviously disclosed novel aspects

  在我们的合成研究总过程中先前合成的或最初通过探索的合成方案生产的诺加霉素同系物的各种结构类型及其部分结构，均经过了体外细胞毒性和体内抗肿瘤活性的测定抵抗P388 munne白血病。这些研究显然揭示了诺加霉素同类物的结构-活性关系的新颖方面。
• Synthesis of Homophthalates from Allenic Diesters: Conversion into Viocristin and Analogues, and Application to 6-Methylpretetramid.
  作者：Donald W. Cameron、Ece Caliskan、Peter G. Griffiths

  DOI：10.1071/ch99065

  日期：——

  Oxy-substituted homophthalic anhydrides have been synthesized by cycloaddition of di- and tri-oxy butadienes to the allenic diester (1). By base-catalysed cycloaddition to appropriate benzoquinones they have afforded new syntheses of viocristin (19), isoviocristin (20) and analogous 1,4-anthraquinones. Related chemistry has led to the naphthalene (34) and the anhydride (35), intermediates in published syntheses of semivioxanthin and 6- methylpretetramid respectively.

  氧代均苯二甲酸酐是通过二氧和三氧丁二烯与异链二酯（1）的环加成反应合成的。 将二氧基和三氧基丁二烯环加成均苯二甲酸酯 (1)。通过碱催化 通过与适当的苯醌进行环加成，他们合成了新的 viocristin (19)、isoviocristin (20) 和类似的 1,4-anthraquinones 的新合成。相关的 萘（34）和酐（35）、 的中间体。 萘 (34) 和酸酐 (35)，它们分别是已发表的半二氧杂蒽和 6-甲基维甲酸合成的中间体。