Methyl-3,3'-dithienyl-glycolat | 28540-31-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: Methyl-3,3'-dithienyl-glycolat
• 英文别名: methyl hydroxy(di-3-thienyl)acetate；hydroxy-di-thiophen-3-yl-acetic acid methyl ester；Methyl 2-hydroxy-2,2-di(thiophen-3-yl)acetate
• CAS: 28540-31-0
• 化学式: C₁₁H₁₀O₃S₂
• 分子量: 254.331
• InChiKey: HPKBLBGHJDQRBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl-3,3'-dithienyl-glycolat 在 甲醇 、 potassium hydroxide 作用下， 反应 3.0h， 生成 (3,3'-Dithienyl)glycolic Acid
  参考文献：
  名称：

  Short and Efficient Synthesis of Cyclopentadithiophene and Its Dialkylated Product

  摘要：

  DOI：

  10.5012/bkcs.2010.31.04.1064
• 作为产物：
  描述：

  在 盐酸 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 0.33h， 以Ca. 23 g的产率得到Methyl-3,3'-dithienyl-glycolat
  参考文献：
  名称：

  Short and Efficient Synthesis of Cyclopentadithiophene and Its Dialkylated Product

  摘要：

  DOI：

  10.5012/bkcs.2010.31.04.1064

文献信息

• TROPAN COMPOUND
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1785421A1

  公开（公告）日：2007-05-16

  The conventional anticholinergic drugs for administration through inhalation have been considered to have the possibility of aggravating dysuria associated with prostatic hyperplasia mediated by blood, and it has been demanded that the conventional anticholinergic drugs for administration through inhalation will have to show reduced side effects or adverse ractions. The present invention relates to a compound represented by the general formula (I): (wherein A represents; and R1, R2, R3 and R1 each a hydrogen atom or a substituent; R5 is a substituent; X- is an anion;the symbol: denotes an exo-form or endo-form, or their mixture), its salt or solvation product thereof. They are useful as a prophylactic and/or therapeutic agent with reduced side effects or adverse reactions for the diseases mediated by the muscarinic receptor.

  传统的抗胆碱药物通过吸入给药被认为可能加重与前列腺增生相关的排尿困难，并要求传统的抗胆碱药物通过吸入给药必须显示减少副作用或不良反应。 本发明涉及一种由通式（I）表示的化合物： （其中A代表; 和R1、R2、R3和R1分别是氢原子或取代基; R5是取代基; X-是阴离子;符号: 表示外向型或内向型，或它们的混合物），其盐或溶剂化产物。它们可用作通过胆碱受体介导的疾病的预防和/或治疗剂，具有减少副作用或不良反应。
• Discovery of Novel Quaternary Ammonium Derivatives of (3<i>R</i>)-Quinuclidinol Esters as Potent and Long-Acting Muscarinic Antagonists with Potential for Minimal Systemic Exposure after Inhaled Administration: Identification of (3<i>R</i>)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane Bromide (Aclidinium Bromide)
  作者：María Prat、Dolors Fernández、M. Antonia Buil、María I. Crespo、Gaspar Casals、Manuel Ferrer、Laia Tort、Jordi Castro、Juan M. Monleón、Amadeu Gavaldà、Montserrat Miralpeix、Israel Ramos、Teresa Doménech、Dolors Vilella、Francisca Antón、Josep M. Huerta、Sonia Espinosa、Manuel López、Sonia Sentellas、Marisa González、Joan Albertí、Victor Segarra、Alvaro Cárdenas、Jorge Beleta、Hamish Ryder

  DOI：10.1021/jm900132z

  日期：2009.8.27

  risk−benefit profile compared with current antimuscarinic agents. A series of novel quaternary ammonium derivatives of (3R)-quinuclidinol esters were synthesized and evaluated. On the basis of its overall profile, (3R)-3-[hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide (aclidinium bromide) emerged as a candidate for once-daily maintenance treatment of COPD

  这项工作的目的是发现一种新型的长效毒蕈碱型M 3拮抗剂，用于吸入治疗慢性阻塞性肺疾病（COPD），与目前的抗毒蕈碱剂相比，具有潜在的改善的风险效益。合成并评价了一系列新的（3 R）-喹啉醇酯的季铵衍生物。根据其总体情况，（3 R）-3-[羟基（二-2-噻吩基）乙酰基]氧基} -1-（3-苯氧基丙基）-1-氮杂双环[2.2.2]辛烷溴化物（溴化ac啶）成为每日维护一次的候选物治疗COPD。该化合物是有效的毒蕈碱拮抗剂，在体内具有长效作用，并且在人血浆中具有快速水解作用，从而最大程度地减少了诱发类相关的全身性副作用的可能性。溴化阿地铵目前处于III期开发中，用于维持治疗COPD患者。
• Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient
  申请人：Nakai Hisao

  公开号：US20080027094A1

  公开（公告）日：2008-01-31

  The conventional anticholinergic drugs for administration through inhalation have been considered to have the possibility of aggravating dysuria associated with prostatic hyperplasia mediated by blood, and it has been demanded that the conventional anticholinergic drugs for administration through inhalation will have to show reduced side effects or adverse reactions. The present invention relates to a compound represented by the general formula (I): (wherein A represents; and R 1 , R 2 , R 3 and R 1 each a hydrogen atom or a substituent; R 5 is a substituent; X − is an anion; the symbol: denotes an exo-form or endo-form, or their mixture), its salt or solvation product thereof. They are useful as a prophylactic and/or therapeutic agent with reduced side effects or adverse reactions for the diseases mediated by the muscarinic receptor.

  传统的通过吸入途径给药的抗胆碱药物被认为可能会加重与前列腺增生有关的排尿困难，因此要求传统的通过吸入途径给药的抗胆碱药物必须显示出减少的副作用或不良反应。本发明涉及一种由通式（I）表示的化合物：（其中A表示；R1、R2、R3和R4分别表示氢原子或取代基；R5表示取代基；X-表示阴离子；符号：表示外部形式或内部形式，或它们的混合物），其盐或溶剂化产物。它们可用作具有减少副作用或不良反应的预防和/或治疗剂，用于由肌肉性受体介导的疾病。
• Short and Efficient Synthesis of Cyclopentadithiophene and Its Dialkylated Product
  作者：Ji-Hae Park、Bun-Yeoul Lee

  DOI：10.5012/bkcs.2010.31.04.1064

  日期：2010.4.20