2-(4-甲氧基-3-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯基)乙酸乙酯 | 1175525-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(4-甲氧基-3-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯基)乙酸乙酯
• 英文名称: [4-methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid ethyl ester
• 英文别名: [4-methoxy-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid ethyl ester；[4-methoxy-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid ethyl ester；[4-methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid ethyl ester；ethyl 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
• CAS: 1175525-91-3
• 化学式: C₁₇H₂₅BO₅
• 分子量: 320.193
• InChiKey: XBSUKMMUZUPEQR-UHFFFAOYSA-N

物化性质

• 沸点：
  426.9±40.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-甲氧基-3-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯基)乙酸乙酯 在 四(三苯基膦)钯 、 sodium cyanoborohydride 、 potassium carbonate 、 溶剂黄146 作用下， 以 甲醇 、 乙二醇二甲醚 、 水 为溶剂， 生成
  参考文献：
  名称：

  Discovery and optimization of a biphenylacetic acid series of prostaglandin D2 receptor DP2 antagonists with efficacy in a murine model of allergic rhinitis

  摘要：

  Biphenylacetic acid (5) was identified through a library screen as an inhibitor of the prostaglandin D-2 receptor DP2 (CRTH2). Optimization for potency and pharmacokinetic properties led to a series of selective CRTH2 antagonists. Compounds demonstrated potency in a human DP2 binding assay and a human whole blood eosinophil shape change assay, as well as good oral bioavailability in rat and dog, and efficacy in a mouse model of allergic rhinitis following oral dosing. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.01.024
• 作为产物：
  描述：

  3-溴-4-甲氧基苯乙酸乙酯 生成 2-(4-甲氧基-3-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯基)乙酸乙酯
  参考文献：
  名称：

  DP2 Antagonist and Uses Thereof

  摘要：

  本文描述了DP2拮抗剂[2'-（3-苯乙基-1-乙基-脲甲基）-6-甲氧基-4'-三氟甲基-联苯-3-基]-乙酸或其药学上可接受的盐。还描述了制备DP2拮抗剂或其药学上可接受的盐的方法。本文还描述了适用于哺乳动物的制药组合物，该组合物包括DP2拮抗剂或其药学上可接受的盐，并且描述了使用这种制药组合物治疗呼吸道疾病或病况、过敏性疾病或病况、炎症性疾病或病况以及其他前列腺素D2依赖性或前列腺素D2介导的疾病或病况的方法。

  公开号：

  US20110034558A1

文献信息

• N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS
  申请人：HUTCHINSON John Howard

  公开号：US20090197959A1

  公开（公告）日：2009-08-06

  Described herein are compounds that are antagonists of PGD 2 receptors. Also described are pharmaceutical compositions that include the compounds described herein, and methods of using such antagonists of PGD 2 receptors, alone or in combination with other compounds, for treating respiratory, cardiovascular, and other PGD 2 -dependent or PGD 2 -mediated conditions or diseases.

  本发明描述了PGD2受体的拮抗剂化合物。同时，还描述了包含本发明所述化合物的药物组合物，以及使用这些PGD2受体拮抗剂的方法，单独使用或与其他化合物联合使用，用于治疗呼吸系统、心血管系统以及其它依赖或由PGD2介导的条件或疾病。
• PYRROLOPYRROLIDINONE COMPOUNDS
  申请人：Cotesta Simona

  公开号：US20130317024A1

  公开（公告）日：2013-11-28

  The invention relates to compounds of formula (I): as described herein, pharmaceutical preparations comprising such compounds, uses and methods of use for such compounds in the treatment of a disorder or a disease mediated by the activity of MDM2 and/or MDM4, and combinations comprising such compounds.

  该发明涉及以下化合物的公式（I）：如本文所述，包括这些化合物的药物制剂，以及这些化合物在治疗由MDM2和/或MDM4活性介导的疾病或疾病中的用途和方法，以及包含这些化合物的组合物。
• ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS
  申请人：HUTCHINSON John Howard

  公开号：US20100152257A1

  公开（公告）日：2010-06-17

  Described herein are compounds that are antagonists of lysophosphatidic receptor(s). Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists, alone and in combination with other compounds, for treating LPA-dependent or LPA-mediated conditions or diseases.

  本文描述了一些对赖氨酸磷脂酸受体具有拮抗作用的化合物。还描述了包括本文描述的化合物的药物组合物和药物，以及使用这些拮抗剂的方法，单独或与其他化合物结合，用于治疗依赖或介导赖氨酸磷脂酸的疾病或病症。
• [EN] HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS HÉTÉROCYCLYLE ET LEUR UTILISATION COMME MODULATEURS DE RÉCEPTEURS DE LA PROSTAGLANDINE D2
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013093842A1

  公开（公告）日：2013-06-27

  The present invention relates to phenyl-substituted heterocyclyl derivatives of the formula (I) wherein Z, n, m, R1, R2, R3, R4, R5, R6, R7 and R8 are as described in the description and their use as prostaglandin receptor modulators, most particularly as prostaglandin D2 receptor modulators, in the treatment of various prostaglandin-mediated diseases and disorders, to pharmaceutical compositions containing these compounds and to processes for their preparation.

  本发明涉及式(I)的苯基取代杂环基衍生物，其中Z、n、m、R1、R2、R3、R4、R5、R6、R7和R8如描述中所述，并且它们作为前列腺素受体调节剂的用途，尤其作为前列腺素D2受体调节剂，在治疗各种前列腺素介导的疾病和紊乱中的用途，以及含有这些化合物的药物组合物和其制备方法。
• DP2 Antagonist and Uses Thereof
  申请人：BRITTAIN Jason Edward

  公开号：US20110034558A1

  公开（公告）日：2011-02-10

  Described herein is the DP 2 antagonist [2′-(3-benzyl-1-ethyl-ureidomethyl)-6-methoxy-4′-trifluoromethyl-biphenyl-3-yl]-acetic acid, or a pharmaceutically acceptable salt thereof. Also described are methods of preparing the DP2 antagonist, or a pharmaceutically acceptable salt thereof. Also described herein are pharmaceutical compositions suitable for administration to a mammal that include the DP 2 antagonist, or a pharmaceutically acceptable salt thereof, and methods of using such pharmaceutical compositions for treating respiratory diseases or conditions, allergic diseases or conditions, inflammatory diseases or conditions, as well as other prostaglandin D 2 -dependent or prostaglandin D 2 -mediated diseases or conditions.

  本文描述了DP2拮抗剂[2'-(3-苄基-1-乙基-脲甲基)-6-甲氧基-4'-三氟甲基-联苯-3-基]-乙酸，或其药用盐。还描述了制备DP2拮抗剂或其药用盐的方法。本文还描述了适合用于哺乳动物的药物组合物，包括DP2拮抗剂或其药用盐，并描述了使用这种药物组合物治疗呼吸道疾病或症状、过敏性疾病或症状、炎症性疾病或症状，以及其他前列腺素D2依赖性或前列腺素D2介导的疾病或症状的方法。