N-[5-[{3-(3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl)-1-oxo-2-propenyl}-amino]-2-hydroxyphenyl]-2-thiophenecarboximidamide hydrochloride | 214123-90-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N-[5-[{3-(3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl)-1-oxo-2-propenyl}-amino]-2-hydroxyphenyl]-2-thiophenecarboximidamide hydrochloride
• 英文别名: N-[5-[(3-(3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl)-1-oxo-2-propenyl}-amino]-2-hydroxyphenyl]-2-thiophenecarboximidamide hydrochloride；N-[3-[[amino(thiophen-2-yl)methylidene]amino]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide;hydrochloride
• CAS: 214123-90-7
• 化学式: C₂₈H₃₃N₃O₃S*ClH
• 分子量: 528.115
• InChiKey: TUUKVJPFOCYDEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.27
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  136
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl thiophene-2-carbimidothioate hydroiodide 、 3-[3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl]-N-(4-hydroxy-3-aminophenyl)-2-propenamide 在 盐酸 作用下， 以 乙醚 为溶剂， 以62%的产率得到N-[5-[{3-(3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl)-1-oxo-2-propenyl}-amino]-2-hydroxyphenyl]-2-thiophenecarboximidamide hydrochloride
  参考文献：
  名称：

  Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them

  摘要：

  从以下化合物组中选择的一种化合物，其化学式为 其中A是从以下组中选择的 其他取代基在规范中定义，具有抑制NO合酶产生一氧化氮的活性和/或捕获活性氧化物种的活性。

  公开号：

  US06335445B1

文献信息

• 2-(iminomethyl) amino-phenyl derivatives, preparation, application as medicines and pharmaceutical compositions containing same
  申请人：Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.)

  公开号：US06340700B1

  公开（公告）日：2002-01-22

  A compound of the formula wherein the substituents are defined as in the specification and their pharmaceutically acceptable salts having NOS and ROS activity.

  该化合物的分子式如下，其中取代基的定义如规范中所述，以及其具有NOS和ROS活性的药用可接受盐。
• New derivatives of 2-(iminomethyl) amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.)

  公开号：US20020007062A1

  公开（公告）日：2002-01-17

  A method for treating neurodegenerative diseases in a warm-blooded animal comprising administering to a warm-blooded animal in need thereof an amount of a compound of the formula 1 wherein A selected from the group consisting of hydrogen and 2 wherein the substituents are defined as set forth in the specification.

  一种治疗恒温动物神经退行性疾病的方法，包括向需要治疗的恒温动物中给予化合物1的量，其中A选自氢和2，其中取代基的定义如规范中所述。
• New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.)

  公开号：US20020042511A1

  公开（公告）日：2002-04-11

  A compound of the formula XXV (H) wherein the substituents are defined as set forth in the specification which are useful intermediates for the production of derivatives of 2-(iminomethyl)-imino-phenyl having inhibitory activity on NO-synthase enzymes.

  该化合物的化学式为XXV（H），其中取代基的定义如说明书中所述，这些化合物是制备具有NO合酶酶抑制活性的2-(亚胺甲基)-亚胺基苯基衍生物的有用中间体。
• Derivatives of 2-(iminomethyl) amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.)

  公开号：US06630461B2

  公开（公告）日：2003-10-07

  A method for treating neurodegenerative diseases in a warm-blooded animal comprising administering to a warm-blooded animal in need thereof an amount of a compound of the formula wherein A selected from the group consisting of hydrogen and wherein the substituents are defined as set forth in the specification.

  一种治疗温血动物神经退行性疾病的方法，包括向需要的温血动物内注入一定量的化合物，该化合物的公式为其中A选自氢基团，取代基的定义如规范中所述。