2-hydroxy-2-phenyl-2-(thiophen-3-yl)acetic acid | 3193-25-7

• 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-hydroxy-2-phenyl-2-(thiophen-3-yl)acetic acid
• 英文别名: hydroxy-phenyl-thiophen-3-yl-acetic acid；hydroxy-phenyl-[3]thienyl-acetic acid；Hydroxy-phenyl-[3]thienyl-essigsaeure；2-Hydroxy-2-phenyl-2-<3>thienyl-essigsaeure；3-Thienylmandelsaeure；Hydroxy(phenyl)3-thienylacetic acid；2-hydroxy-2-phenyl-2-thiophen-3-ylacetic acid
• CAS: 3193-25-7
• 化学式: C₁₂H₁₀O₃S
• 分子量: 234.276
• InChiKey: NGRIKMVPULGUNF-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：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  85.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-hydroxy-2-phenyl-2-(thiophen-3-yl)acetic acid 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 苯基-3-噻吩基-甲酮
  参考文献：
  名称：

  Ott, Organic syntheses with isotopes (Arthur Murray and D. Lloyd Williams), 1958, p. 152,155

  摘要：

  DOI：
• 作为产物：
  描述：

  1-phenyl-2-(thiophen-3-yl)ethane-1,2-dione 在 氢氧化钾 作用下， 生成 2-hydroxy-2-phenyl-2-(thiophen-3-yl)acetic acid
  参考文献：
  名称：

  3-Substituted Thiophenes. V. Alkamine Esters of Phenyl-3-thienylglycolic Acid¹

  摘要：

  DOI：

  10.1021/ja01107a045

文献信息

• [EN] COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY<br/>[FR] COMPOSÉS AYANT UNE ACTIVITÉ ANTAGONISTE DES RÉCEPTEURS MUSCARINIQUES ET UNE ACTIVITÉ AGONISTE DES RÉCEPTEURS ADRÉNERGIQUE BÊTA-2
  申请人：CHIESI FARMA SPA

  公开号：WO2012168349A1

  公开（公告）日：2012-12-13

  The present invention relates to compounds of general formula (I), acting both as muscarinic receptor antagonists and beta2 adrenergic receptor agonists, to processes for their preparation, to compositions comprising them, to therapeutic uses and combinations with other pharmaceutical active ingredients.

  这项发明涉及一般式(I)的化合物，它们既作为肌肉收缩受体拮抗剂，又作为β2肾上腺素受体激动剂，涉及它们的制备方法，包含它们的组合物，治疗用途以及与其他药用活性成分的组合。
• COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY
  申请人：RANCATI Fabio

  公开号：US20130034504A1

  公开（公告）日：2013-02-07

  Compounds of formula (I) act both as muscarinic receptor antagonists and beta2 adrenergic receptor agonists and are useful for treating and/or preventing broncho-obstructive and inflammatory diseases.

  式(I)的化合物既可作为肌肉胆碱受体拮抗剂，又可作为β2肾上腺素受体激动剂，可用于治疗和/或预防支气管阻塞和炎症性疾病。
• 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists
  申请人：Salman Mohammad

  公开号：US20080319043A1

  公开（公告）日：2008-12-25

  The present invention generally relates to muscarinic receptor antagonists, which are useful, among other uses, for the treatment of various diseases of the respiratory, urinary and gastrointestinal systems mediated through muscarinic receptors. The invention also relates to the process for the preparation of disclosed compounds, pharmaceutical compositions containing the disclosed compounds, and the methods for treating diseases mediated through muscarinic receptors.

  本发明通常涉及抗胆碱能受体拮抗剂，这些拮抗剂在其他用途中可用于治疗通过胆碱能受体介导的呼吸系统、泌尿系统和消化系统的各种疾病。本发明还涉及揭示化合物的制备过程、含有揭示化合物的制药组合物以及通过胆碱能受体治疗疾病的方法。
• Anti-viral compounds
  申请人：Eli Lilly and Company

  公开号：US06358971B1

  公开（公告）日：2002-03-19

  The present invention relates to compounds of Formula (I) below, which inhibit the growth of picornaviruses, Hepatitus viruses, enteroviruses, cardioviruses, polioviruses, coxsackieviruses of the A and B groups, echo virus and Mengo virus. wherein: A is phenyl, pyridyl, substituted phenyl, substituted pyridyl, or benzyl; R is hydrogen, COR4, or COCF3; X is N—OH, O, or CHR1; R1 is hydrogen, halo, CN, C1-C4 alkyl, —C≡CH, CO(C1-C4 alkyl), CO2(C1-C4 alkyl), or CONR2R3; R2 and R3 are independently hydrogen or C1-C4 alkyl; A′ is hydrogen, halo, C1-C6 alkyl, benzyl, naphthyl, thienyl, furyl, pyridyl, pyrollyl, COR4, S(O)nR4, or a group of the formula R4 is C1-C6 alkyl, phenyl, or substituted phenyl; n is 0, 1, or 2; R5 is independently at each occurrence hydrogen or halo; m is 1, 2, 3, or 4; and R6 is hydrogen, halo, CF3, OH, CO2H, NH2, NO2, CONHOCH3, C1-C4 alkyl, or CO2(C1-C4 alkyl), C1-C4 alkoxy; or a pharmaceutically acceptable salt thereof.

  本发明涉及以下式（I）的化合物，其抑制小肠病毒、肝炎病毒、肠病毒、心病毒、脊髓灰质炎病毒、A组和B组柯萨奇病毒、回声病毒和门戈病毒的生长，其中：A为苯基、吡啶基、取代苯基、取代吡啶基或苄基；R为氢、COR4或COCF3；X为N—OH、O或CHR1；R1为氢、卤素、CN、C1-C4烷基、—C≡CH、CO（C1-C4烷基）、CO2（C1-C4烷基）或CONR2R3；R2和R3各自独立地为氢或C1-C4烷基；A′为氢、卤素、C1-C6烷基、苄基、萘基、噻吩基、呋喃基、吡啶基、吡咯基、COR4、S（O）nR4或式R4为C1-C6烷基、苯基或取代苯基的基团；n为0、1或2；R5在每次出现时各自独立地为氢或卤素；m为1、2、3或4；R6为氢、卤素、CF3、OH、CO2H、NH2、NO2、CONHOCH3、C1-C4烷基或CO2（C1-C4烷基）、C1-C4烷氧基；或其药学上可接受的盐。
• Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity
  申请人：Rancati Fabio

  公开号：US09012644B2

  公开（公告）日：2015-04-21

  Compounds of formula (I) act both as muscarinic receptor antagonists and beta2 adrenergic receptor agonists and are useful for treating and/or preventing broncho-obstructive and inflammatory diseases.

  化合物式(I)的化合物既作为肌肉乙酰胆碱受体拮抗剂，又作为β2肾上腺素能受体激动剂，可用于治疗和/或预防支气管阻塞性和炎症性疾病。