(-)-(2S,3S)-2-cyano-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthyl)propanoic acid | 796856-20-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (-)-(2S,3S)-2-cyano-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthyl)propanoic acid
• 英文别名: (S,S)-2-cyano-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthyl)propanoic acid；(S,S)-2-cyano-3-(2-methoxy-phenyl)-2-methyl-3-naphthalen-1-yl-propionic acid；(2S,3S)-2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanoic acid
• CAS: 796856-20-7
• 化学式: C₂₂H₁₉NO₃
• 分子量: 345.398
• InChiKey: OLFLGDVJYKREPU-RBBKRZOGSA-N

物化性质

• 沸点：
  558.9±50.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (-)-(2S,3S)-2-cyano-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthyl)propanoic acid 在 N,N-二甲基甲酰胺 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  [EN] 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS
  [FR] DERIVES D'AMIDES ET D'ESTERS D'ACIDE 2-CYANOPROPANOIQUE ET METHODES D'UTILISATION DESDITS DERIVES

  摘要：

  公开号：

  WO2004099150A3
• 作为产物：
  描述：

  2-cyano-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthyl)propanoic acid 生成 (-)-(2S,3S)-2-cyano-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthyl)propanoic acid
  参考文献：
  名称：

  J. Med. Chem. 2007, 50, 5245-5248

  摘要：

  DOI：

文献信息

• Use of ER selective NF-kB inhibitors for the treatment of sepsis
  申请人：Caggiano J. Thomas

  公开号：US20050256132A1

  公开（公告）日：2005-11-17

  The present invention provides methods for treating sepsis, systemic inflammatory response syndrome, severe sepsis, septic shock, and multiple organ dysfunction syndrome by modulating NF-κB transcription with ligands that interact with the estrogen receptor, preferably in the absence of classic estrogenic activity. Other aspects of the invention relate to methods for treating sepsis, systemic inflammatory response syndrome, severe sepsis, septic shock, and multiple organ dysfunction syndrome that comprise administering to a patient suffering therefrom an effective amount of a compound of Formula I:

  本发明提供了通过调节与雌激素受体相互作用的配体来调节NF-κB转录，从而治疗脓毒症、全身性炎症反应综合征、严重脓毒症、脓毒性休克和多器官功能障碍综合征的方法，优选在无典型雌激素活性的情况下进行。本发明的其他方面涉及治疗脓毒症、全身性炎症反应综合征、严重脓毒症、脓毒性休克和多器官功能障碍综合征的方法，包括向患有此类病症的患者施用有效量的式I化合物：
• [EN] METHOD OF TREATING RHEUMATOID ARTHRITIS USING NF-kB INHIBITORS<br/>[FR] METHODE PERMETTANT DE TRAITER L'ARTHRITE RHUMATOIDE A L'AIDE D'INHIBITEURS DE NF-KB
  申请人：WYETH CORP

  公开号：WO2005039583A1

  公开（公告）日：2005-05-06

  The present invention concerns a method of treating rheumatoid arthritis by diagnosing that a person is in need of treatment for rheumatoid arthritis and administering a therapeutically effective amount of a ligand which modulates NF-kB transcription factor by interaction with estrogen receptor ER-α, estrogen receptor ER-β, or both ER-α and ER- β estrogen receptors with a substantial absence of creatine kinase stimulation. In certain embodiments, the administration is with a substantial absence of uterotropic activity.

  本发明涉及一种治疗类风湿性关节炎的方法，通过诊断一个人需要治疗类风湿性关节炎，并且通过与雌激素受体ER-α、雌激素受体ER-β或ER-α和ER-β雌激素受体中的一个相互作用来给予调节NF-kB转录因子的配体的治疗有效量，且在很大程度上缺乏肌酸激酶的刺激。在某些实施例中，给药在很大程度上缺乏子宫营养活性。
• Methods of treating rheumatoid arthritis using NF-kB inhibitors
  申请人：Harnish Carl Douglas

  公开号：US20050113405A1

  公开（公告）日：2005-05-26

  The present invention concerns a method of treating rheumatoid arthritis by diagnosing that a person is in need of treatment for rheumatoid arthritis and administering a therapeutically effective amount of a ligand which modulates NF-kB transcription factor by interaction with estrogen receptor ER-α, estrogen receptor ER-β, or both ER-α and ER-β estrogen receptors with a substantial absence of creatine kinase stimulation. In certain embodiments, the administration is with a substantial absence of uterotropic activity.

  本发明涉及一种治疗类风湿性关节炎的方法，通过诊断一个人需要治疗类风湿性关节炎，并且通过与雌激素受体ER-α、雌激素受体ER-β或ER-α和ER-β雌激素受体中的一个相互作用来给予调节NF-kB转录因子的配体的治疗有效量，且在很大程度上缺乏肌酸激酶的刺激。在某些实施例中，给药时很大程度上缺乏子宫营养活性。
• [EN] USE OF ESTROGEN RECEPTOR LIGANDS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE<br/>[FR] UTILISATION DE LIGANDS DE RECEPTEUR D'OESTROGENE POUR LE TRAITEMENT D'UNE MALADIE INTESTINALE INFLAMMATOIRE
  申请人：WYETH CORP

  公开号：WO2005039581A1

  公开（公告）日：2005-05-06

  The present invention concerns a method of treating inflammatory bowel disease by diagnosing that a person is in need of treatment for inflammatory bowel disease and administering a therapeutically effective amount of a ligand which modulates NF-kB transcription factor by interaction with estrogen receptor ER-α, estrogen receptor ER-β, or both ER-α and ER-β estrogen receptors with a substantial absence of creatine kinase stimulation. In certain preferred embodiments, the administration is substantially without uterotropic activity.

  本发明涉及一种治疗炎症性肠病的方法，通过诊断一个人需要治疗炎症性肠病，并且通过与雌激素受体ER-α、雌激素受体ER-β或ER-α和ER-β雌激素受体中的任一相互作用来给予调节NF-kB转录因子的配体的治疗有效量，且在很大程度上缺乏肌酸激酶刺激。在某些优选实施方式中，给药基本上没有子宫营养活性。
• Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors
  申请人：Chadwick Cyril Christopher

  公开号：US20060111421A1

  公开（公告）日：2006-05-25

  The present invention concerns a method of treatment or prevention of myocardial ischemia-reperfusion injury by diagnosing that a person is in need of treatment or prevention of myocardial ischemia-reperfusion injury and administering a therapeutically effective amount of a ligand which modulates NF-kB transcription factor by interaction with estrogen receptor ER-α, estrogen receptor ER-β, or both ER-α and ER-β estrogen receptors with a substantial absence of creatine kinase stimulation. In certain preferred embodiments, the administration is substantially without uterotropic activity.

  本发明涉及一种治疗或预防心肌缺血再灌注损伤的方法，通过诊断一个人需要治疗或预防心肌缺血再灌注损伤，并通过与雌激素受体ER-α、雌激素受体ER-β或ER-α和ER-β雌激素受体中的一个或两个相互作用来给予调节NF-kB转录因子的配体的治疗有效量，其中刺激肌酸激酶的作用显著缺乏。在某些优选实施例中，给药基本上不具有子宫营养活性。