4-[5-[4-[amino[(methylsulfonyl)imino]methyl]phenoxy]pentoxy]-3-methoxy-N,N-bis(1-methylethyl)benzamide | 146978-34-9

• 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[(methylsulfonyl)imino]methyl]phenoxy]pentoxy]-3-methoxy-N,N-bis(1-methylethyl)benzamide
• 英文别名: 3-methoxy-4-[5-[4-(N'-methylsulfonylcarbamimidoyl)phenoxy]pentoxy]-N,N-di(propan-2-yl)benzamide
• CAS: 146978-34-9
• 化学式: C₂₇H₃₉N₃O₆S
• 分子量: 533.689
• InChiKey: GXTYJRQCBCWSQM-UHFFFAOYSA-N

物化性质

• 沸点：
  680.9±65.0 °C(predicted)
• 密度：
  1.17±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  37
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methane sulfonyl chloride 、 4-[5-[4-(aminoiminomethyl)phenoxy]pentoxy]-3-methoxy-N,N-bis(1-methylethyl)benzamide monohydrochloride 生成 4-[5-[4-[amino[(methylsulfonyl)imino]methyl]phenoxy]pentoxy]-3-methoxy-N,N-bis(1-methylethyl)benzamide
  参考文献：
  名称：

  Amidino compounds, their manufacture and method of treatment

  摘要：

  这项发明涉及公式##STR1##的化合物。

  公开号：

  US05488160A1

文献信息

• Amidino compounds, their manufacture and methods of treatment
  申请人：Ciba-Geigy Corporation

  公开号：US05451700A1

  公开（公告）日：1995-09-19

  The invention relates to the compounds of the formula ##STR1## wherein the C(.dbd.NH)--NHR.sub.3 group may be in tautomeric or isomeric form, and phamaceutically acceptable salts thereof. The compounds are useful as selective LTB.sub.4 receptor antagonists.

  该发明涉及公式##STR1##中的化合物，其中C(.dbd.NH)--NHR.sub.3基团可以是互变异构体或同分异构体，以及其药用盐。这些化合物可用作选择性LTB.sub.4受体拮抗剂。
• Amidino compounds, their manufacture and use as medicament
  申请人：CIBA-GEIGY AG

  公开号：EP0518819A2

  公开（公告）日：1992-12-16

  The invention relates to the compounds of the formula and pharmaceutically acceptable salts thereof, in which : R1 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 ; R2 is hydrogen, halogen, trifluoromethyl, an aliphatic hydrocarbon radical, or is hydroxy which is etherified by an aliphatic alcohol, araliphatic alcohol, or aromatic alcohol or which is esterified by an aliphatic or araliphatic carboxylic acid ; R3 is hydrogen or an acyl radical which is derived from an organic carbonic acid, un organic carboxylic acid, a sulfonic acid, or a carbamic acid ; 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 ; wherein the phenyl rings of formula I may be, independently of one another, further substituted by one or more substituents selected from halogen, trifluoromethyl, un 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, un 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. The compounds are useful as selective LTB-4 receptor antagonists in the treatment of conditions or syndromes in mammals which are responsive to LTB-4 receptor antagonism.

  本发明涉及如下式的化合物 及其药学上可接受的盐，其中： R1 是被选自脂族烃基、脂肪族烃基、芳香族基和环脂族烃基的取代基单取代或二取代的氨基，或者是被二价脂族烃基二取代的氨基； R2 是氢、卤素、三氟甲基、脂肪族烃基，或者是被脂肪族醇、脂肪族醇或芳香族醇醚化的羟基，或者是被脂肪族或脂肪族羧酸酯化的羟基； R3 是氢或由有机碳酸、有机羧酸、磺酸或氨基甲酸衍生的酰基； X1 和 X3 各自是氧 (-O-) 或硫 (-S-)；以及 X2 是可被芳香基打断的二价脂族烃基； 其中，式 I 的苯基环可相互独立地进一步被一个或多个取代基取代，这些取代基可选 自卤素、三氟甲基、非脂族烃基、羟基和被脂族醇醚化或被脂族或芳香族羧酸酯化的羟基； 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、非脂族烃基、羟基和被脂族醇醚化或被脂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。这些化合物可作为选择性LTB-4受体拮抗剂，用于治疗哺乳动物体内对LTB-4受体拮抗剂有反应的病症或综合征。
• US5451700A
  申请人：——

  公开号：US5451700A

  公开（公告）日：1995-09-19
• US5488160A
  申请人：——

  公开号：US5488160A

  公开（公告）日：1996-01-30
• Amidino compounds, their manufacture and method of treatment
  申请人：Ciba-Geigy Corporation

  公开号：US05488160A1

  公开（公告）日：1996-01-30

  The invention relates to the compounds of the formula ##STR1##

  这项发明涉及公式##STR1##的化合物。