4-[5-[4-[amino(hydroxyimino)methyl]phenoxy]pentyloxy]-2-hydroxy-N,N-bis(1-methylethyl)benzamide

• 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: 4-[5-[4-[amino(hydroxyimino)methyl]phenoxy]pentyloxy]-2-hydroxy-N,N-bis(1-methylethyl)benzamide
• 英文别名: 2-hydroxy-4-[5-[4-(N'-hydroxycarbamimidoyl)phenoxy]pentoxy]-N,N-di(propan-2-yl)benzamide
• 化学式: C₂₅H₃₅N₃O₅
• 分子量: 457.57
• InChiKey: BJVVHIVCDWUTEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-acetoxy-4-[5-(4-cyanophenoxy)pentyloxy]-N,N-bis(1-methylethyl)benzamide 在 sodium hydroxide 、 盐酸羟胺 作用下， 以 甲醇 、 乙醇 、 正己烷 、 水 、 乙酸乙酯 为溶剂， 生成 4-[5-[4-[amino(hydroxyimino)methyl]phenoxy]pentyloxy]-2-hydroxy-N,N-bis(1-methylethyl)benzamide
  参考文献：
  名称：

  Hydroxyamidine derivatives

  摘要：

  该发明涉及以下式的化合物##STR1##其中C(=NOH)-NH.sub.2基团可能处于互变式形式，以及其药学上可接受的盐，其中：R.sub.1是氨基或经由从脂肪烃基、芳基脂肪烃基、芳基和环脂烃基中选择的取代基单取代或双取代的氨基，或者是经由二价脂肪烃基或被氧中断的所述基团双取代的氨基；R.sub.2是氢、卤素、三氟甲基、脂肪烃基或羟基；或者R.sub.2是经由脂肪醇、芳基醇或芳香醇乙醚化的羟基，或者是经由脂肪或芳基羧酸酯化的羟基；或者R.sub.2是经由被羧基置换的脂肪醇乙醚化的羟基，或者是被酯化羧基或酰胺基羧基置换的脂肪醇乙醚化的羟基；X.sub.1和X.sub.3互相独立地是氧(--O--)或硫(--S--)；X.sub.2是可由芳基中断的二价脂肪烃基；R.sub.3和R.sub.4互相独立地是氢、卤素、三氟甲基、脂肪烃基、羟基或者经由脂肪醇乙醚化的羟基，或者是经由脂肪或芳基羧酸酯化的羟基；在上述定义中，芳基可能是，互相独立地，进一步经由卤素、三氟甲基、脂肪烃基、羟基和经由脂肪醇乙醚化或经由脂肪或芳基羧酸酯化的羟基中选择的一个或多个取代基取代；其中环脂烃基可能被脂肪基取代。这些化合物在哺乳动物中对于对LTB.sub.4受体拮抗剂具有选择性，并用于治疗对LTB.sub.4受体拮抗作用产生反应的病症或综合征。

  公开号：

  US05455274A1

文献信息

• Aromatic hydroxyamidine derivatives and their use as leukotriene B4 receptor anagonists
  申请人：CIBA-GEIGY AG

  公开号：EP0601977A1

  公开（公告）日：1994-06-15

  The invention relates to the compounds of the formula I wherein the C(=NOH)-NH₂ group may be in tautomeric form; and pharmaceutically acceptable salts thereof, in which: R₁ is amino or amino which is mono- or disubstituted X₁ and X₃, independently of one another, are oxygen (-O-) or sulphur (-S-); and X₂ is a divalent aliphatic hydrocarbon radical which may be interrupted by an aromatic radical; The compounds are useful, for example, as selective LTB₄ receptor antagonists in the treatment of conditions or syndromes in mammals which are responsive to LTB₄ receptor antagonism. They are prepared in a manner known per se.

  本发明涉及式 I 的化合物 其中 C(=NOH)-NH₂ 基团可以是同分异构体形式；及其药学上可接受的盐，其中： R₁ 是氨基或单取代或二取代的氨基 X₁ 和 X₃ 相互独立地是氧（-O-）或硫（-S-）；以及 X₂ 是二价脂族烃基，可被芳香基打断； 这些化合物可作为选择性 LTB₄ 受体拮抗剂，用于治疗哺乳动物体内对 LTB₄ 受体拮抗剂有反应的病症或综合征。它们的制备方法本身是已知的。
• Use of substituted amidino compounds in the treatment of chronic obstructive pulmonary disease
  申请人：——

  公开号：US20010000341A1

  公开（公告）日：2001-04-19

  Use in medicaments for the treatment of chronic obstructive pulmonary disease of compounds of formula 1 wherein the C(═NH)—NHR 3 group may be in tautomeric or isomeric form, or a pharmaceutically acceptable salt thereof, in which: R 1 is amino which is mono- or disubstituted by a substituent selected from an aliphatic hydrocarbon radical, an araliphatic hydrocarbon radical, an aromatic radical, and a cycloaliphatic hydrocarbon radical or is amino which is disubstituted by a divalent aliphatic hydrocarbon radical or a said radical interrupted by oxygen; R 2 is hydrogen, halogen, trifluoromethyl, an aliphatic hydrocarbon radical, hydroxy or is hydroxy which is etherified by an aliphatic, araliphatic or aromatic alcohol or by an aliphatic alcohol which is substituted by carboxy, by esterified carboxy or by amidated carboxy or which is esterified by an aliphatic or araliphatic carboxylic acid; R 3 is hydrogen or an acyl radical which is derived from an organic carbonic acid, an organic carboxylic acid, a sulfonic acid, or a carbamic acid; X 1 and X 3 , independently or one another, are oxygen (—O—) or sulphur (—S—); and X 2 is a divalent aliphatic hydrocarbon radical which may be interrupted by an aromatic radical; wherein the phenyl rings of formula I may be, independently or one another, further substituted by one or more substituents selected from halogen, trifluoromethyl, an aliphatic hydrocarbon radical, hydroxy, and hydroxy which is etherified by an aliphatic alcohol or which is esterified by an aliphatic or araliphatic carboxylic acid; wherein aryl in the above definitions may be, independently of one another, further substituted by one or more substituents selected from halogen, trifluoromethyl, an aliphatic hydrocarbon radical, hydroxy, and hydroxy which is etherified by an aliphatic alcohol or which is esterified by an aliphatic or araliphatic carboxylic acid; wherein a cycloaliphatic hydrocarbon radical may be substituted by an aliphatic radical.

  式化合物在治疗慢性阻塞性肺病药物中的用途 1 其中 C(═NH)-NHR 3 基团可以是同分异构体或异构体形式，或其药学上可接受的盐，其中 R 1 是被选自脂肪烃基、脂肪烃基、芳香基和环脂肪烃基的取代基单取代或二取代的氨基，或者是被二价脂肪烃基或被氧打断的上述基二取代的氨基； R 2 是氢、卤素、三氟甲基、脂族烃基、羟基或被脂族、脂肪族或芳香族醇醚化的羟基，或被羧基、酯化羧基或酰胺化羧基取代的脂族醇，或被脂族或脂肪族羧酸酯化的脂族醇； R 3 是氢或由有机碳酸、有机羧酸、磺酸或氨基甲酸衍生的酰基； X 1 和 X 3 是氧 (-O-) 或硫 (-S-)；以及 X 2 是可被芳香基打断的二价脂族烃基； 其中式 I 的苯基环可独立或相互被一个或多个选自卤素、三氟甲基、脂族烃基、羟基、被脂族醇醚化的羟基或被脂族或芳族羧酸酯化的羟基的取代基进一步取代； 其中，上述定义中的芳基可相互独立地进一步被一个或多个取代基取代，这些取代基选自卤素、三氟甲基、脂肪族烃基、羟基和被脂肪族醇醚化或被脂肪族或脂肪族羧酸酯化的羟基； 其中环脂族烃基可被脂肪族基取代。
• Aromatic hydroxyamidine derivatives and their use as leukotriene B4 receptor antagonists
  申请人：CIBA-GEIGY AG

  公开号：EP0601977B1

  公开（公告）日：1997-01-22
• SUBSTITUTED AMIDINO COMPOUNDS IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE
  申请人：Novartis AG

  公开号：EP1037617A1

  公开（公告）日：2000-09-27
• JPH06263710A
  申请人：——

  公开号：JPH06263710A

  公开（公告）日：1994-09-20