3-(4-hydroxyphenyl)-7-(2-{4-[2-(trifluoromethyl)phenyl]piperazinyl}ethoxy)chromen-4-one | 1005335-78-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(4-hydroxyphenyl)-7-(2-{4-[2-(trifluoromethyl)phenyl]piperazinyl}ethoxy)chromen-4-one
• 英文别名: 3-(4-Hydroxyphenyl)-7-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]chromen-4-one
• CAS: 1005335-78-3
• 化学式: C₂₈H₂₅F₃N₂O₄
• 分子量: 510.513
• InChiKey: KPWVMSRCNSRFBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.2
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION
  申请人：Zablocki Jeff

  公开号：US20080032995A1

  公开（公告）日：2008-02-07

  Disclosed are novel isoflavone derivatives having the structure of Formula I which are useful as ALDH-2 inhibitors for treating mammals for dependence upon drugs of addiction, for example addiction to dopamine-producing agent such as cocaine, morphine, amphetamines, nicotine, and alcohol.

  揭示了具有以下结构的新型异黄酮衍生物，其可用作ALDH-2抑制剂，用于治疗哺乳动物对成瘾药物的依赖，例如对多巴胺类药物如可卡因、吗啡、安非他命、尼古丁和酒精的依赖。
• ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS
  申请人：Diamond Ivan

  公开号：US20090124672A1

  公开（公告）日：2009-05-14

  Disclosed are isoflavone derivatives having the structure of Formula I which are useful as ALDH-2 inhibitors for use treating in mammals suffering from psychiatric disorders such as, for example, depression, generalized anxiety, social phobia, panic disorder, and sleep disorders.

  披露的是具有公式I结构的异黄酮衍生物，它们作为ALDH-2抑制剂，用于治疗遭受精神疾病困扰的哺乳动物，例如抑郁症、广泛性焦虑症、社交恐惧症、恐慌症和睡眠障碍。
• ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION
  申请人：Zablocki Jeff

  公开号：US20090209533A1

  公开（公告）日：2009-08-20

  Disclosed are novel isoflavone derivatives having the structure of Formula I which are useful as ALDH-2 inhibitors for treating mammals for dependence upon drugs of addiction, for example addiction to dopamine-producing agent such as cocaine, morphine, amphetamines, nicotine, and alcohol.

  本发明揭示了一种新型异黄酮衍生物，其结构为I式，可用作ALDH-2抑制剂，用于治疗哺乳动物对成瘾药物的依赖，例如对多巴胺产生剂如可卡因、吗啡、安非他命、尼古丁和酒精的成瘾。
• [EN] ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION<br/>[FR] INHIBITEURS D'ALDH-2 UTILISÉS POUR LE TRAITEMENT D'UNE ACCOUTUMANCE
  申请人：CV THERAPEUTICS INC

  公开号：WO2008014497A2

  公开（公告）日：2008-01-31

  [EN] Disclosed are novel isoflavone derivatives having the structure of Formula (I) which are useful as ALDH-2 inhibitors for treating mammals for dependence upon drugs of addiction, for example addiction to dopamine-producing agent such as cocaine, morphine, amphetamines, nicotine, and alcohol.
  [FR] La présente invention concerne de nouveaux dérivés d'isoflavone dont la structure répond à la formule (I). Les dérivés se révèlent utiles en tant qu'inhibiteurs de l'aldéhyde déshydrogénase (ALDH-2) pour le traitement de mammifères présentant une accoutumance à des substances susceptibles d'induire une dépendance, par exemple une accoutumance à un agent produisant de la dopamine tel que la cocaïne, la morphine, les amphétamines, la nicotine, et l'alcool.
• [EN] ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS<br/>[FR] INHIBITEURS ALDH-2 DANS LE TRAITEMENT DE TROUBLES PSYCHIATRIQUES
  申请人：CV THERAPEUTICS INC

  公开号：WO2009061924A2

  公开（公告）日：2009-05-14

  Disclosed are isoflavone derivatives having the structure of Formula (I) which are useful as ALDH-2 inhibitors for use treating in mammals suffering from psychiatric disorders such as, for example, depression, generalized anxiety, social phobia, panic disorder, and sleep disorders.