4-{(E)-2-[5,5,8,8-tetramethyl-3-(thiophen-3-yl)-5,6,7,8-tetrahydro-naphthalen-2-yl]vinyl}benzoic acid | 410528-44-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-{(E)-2-[5,5,8,8-tetramethyl-3-(thiophen-3-yl)-5,6,7,8-tetrahydro-naphthalen-2-yl]vinyl}benzoic acid
• 英文别名: 4-[(E)-2-(5,5,8,8-tetramethyl-3-thiophen-3-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
• CAS: 410528-44-8
• 化学式: C₂₇H₂₈O₂S
• 分子量: 416.584
• InChiKey: SZPNVPQTVRFHGN-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-formyl-3-bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthylene 、 Ethyl 4-[(E)-2-(3-bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthylen-2-yl)vinyl]benzoate 、 Ethyl 4-{(E)-2-[5,5,8,8-tetramethyl-3-(thiophen-3-yl)-5,6,7,8-tetrahydro-naphthylen-2-yl]vinyl}benzoate 、 ethyl 4-(diethoxyphosphorylmethyl)benzoate 生成 4-{(E)-2-[5,5,8,8-tetramethyl-3-(thiophen-3-yl)-5,6,7,8-tetrahydro-naphthalen-2-yl]vinyl}benzoic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Retinoid compounds (I)
  申请人：——

  公开号：US20020082265A1

  公开（公告）日：2002-06-27

  The current invention provide novel retinoid compounds and methods for their synthesis, methods of treating or preventing emphysema, cancer and dermatological disorders and pharmaceutical compositions suitable for the treatment or prevention of emphysema, cancer and dermatological disorders.

  当前的发明提供了新颖的视黄醇类化合物及其合成方法，治疗或预防肺气肿、癌症和皮肤病的方法，以及适用于治疗或预防肺气肿、癌症和皮肤病的药物组合物。
• Retinoids for the treatment of emphysema
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1935869A1

  公开（公告）日：2008-06-25

  The current invention provides novel retinoid compounds and methods for their synthesis, the use of such compounds for the preparation of medicaments for treating or preventing emphysema, cancer and dermatological disorders, methods for such deseases and pharmaceutical compositions suitable for the treatment or prevention of emphysema, cancer and dermatological disorders.

  本发明提供了新型维甲酸化合物及其合成方法，利用此类化合物制备治疗或预防肺气肿、癌症和皮肤病的药物，以及治疗此类疾病的方法和适用于治疗或预防肺气肿、癌症和皮肤病的药物组合物。
• RETINOIDS FOR THE TREATMENT OF EMPHYSEMA
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1324970A2

  公开（公告）日：2003-07-09
• US6777418B2
  申请人：——

  公开号：US6777418B2

  公开（公告）日：2004-08-17
• [EN] NEW RETINOIDS FOR THE TREATMENT OF EMPHYSEMA<br/>[FR] NOUVEAUX RETINOIDES DESTINES AU TRAITEMENT DE L'EMPHYSEME
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002028810A2

  公开（公告）日：2002-04-11

  The current invention provides novel retinoid compounds and methods for their synthesis, the use of such compounds for the preparation of medicaments for treating or preventing emphysema, cancer and dermatological disorders, methods for such deseases and pharmaceutical compositions suitable for the treatment or prevention of emphysema, cancer and dermatological disorders.