N'-(2,6-di isopropylphenyl)-N-heptyl-N-(6-hydroxyhexyl)urea | 199593-01-6

• 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: N'-(2,6-di isopropylphenyl)-N-heptyl-N-(6-hydroxyhexyl)urea
• 英文别名: N-(2,6-diisopropylphenyl)-N'-heptyl-N'-(6-hydroxyhexyl)urea；n'-(2,6-Diisopropylphenyl)-n-heptyl-n-(6-hydroxyhexyl)urea；3-[2,6-di(propan-2-yl)phenyl]-1-heptyl-1-(6-hydroxyhexyl)urea
• CAS: 199593-01-6
• 化学式: C₂₆H₄₆N₂O₂
• 分子量: 418.663
• InChiKey: AHDRIAMWUPMMJO-UHFFFAOYSA-N

物化性质

• 沸点：
  557.2±50.0 °C(Predicted)
• 密度：
  0.983±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,6-二异丙基苯异氰酸酯 以 氯仿 、 水 为溶剂， 以87%的产率得到N'-(2,6-di isopropylphenyl)-N-heptyl-N-(6-hydroxyhexyl)urea
  参考文献：
  名称：

  Anilide compounds and drugs containing the same

  摘要：

  该发明涉及一种新型苯胺类化合物和包含该化合物的药物组合物。该发明涉及一种由以下通用式表示的化合物：表示苯的一个带有取代基的二价残基，杂环并联苯可能具有或不具有取代基，吡啶可能具有或不具有取代基，环己烷或萘或Ar代表可能具有或不具有取代基的芳基；X代表—NH—、氧原子或硫原子；Y代表—NR4—、氧原子、硫原子、亚硫醚或砜；Z代表单键或—NR5—；R4代表氢原子、较低烷基、芳基或可能具有或不具有取代基的硅烷化较低烷基；R5代表氢原子、较低烷基、芳基或可能具有或不具有取代基的硅烷化较低烷基；n代表0到15之间的整数。这些创新化合物在药物组合物的形式中非常有用，特别作为酰辅酶A胆固醇酰转移酶（ACAT）抑制剂。

  公开号：

  US06362208B1

文献信息

• Novel anilide compounds and pharmaceutical compositions comprising them
  申请人：——

  公开号：US20020037910A1

  公开（公告）日：2002-03-28

  The invention provides novel anilide compounds and pharmaceutical compositions comprising them. The invention relates to compounds of a formula: 1 wherein Ar is an optionally-substituted aryl group; R 4 and R 5 are the same or different, and each is a hydrogen atom, a lower alkyl group, or a lower alkoxy group; and R 4 and R 5 may together form a lower alkylene group of which one or more methylene moieties may optionally be substituted by oxygen and/or sulfur atoms; X is —NH—, or an oxygen or sulfur atom; Y is —NH—, an oxygen or sulfur atom, or a sulfoxide or sulfone group; Z is a single bond, or —NR 6 —; R 6 represents a hydrogen atom or a lower alkylene group; and n is an integer of from 0 to 15; and their salts and solvates. The compounds of the invention are useful as pharmaceutical compositions, especially as acyl coenzyme A cholesterol acyltransferase (ACAT) inhibitors.

  本发明提供了新型苯甲酰胺类化合物及其制备的药物组合物。本发明涉及一种公式1的化合物：其中Ar是可选取的取代芳基基团；R4和R5相同或不同，每个为氢原子、低碳基基团或低氧基基团；R4和R5可以共同形成一个低碳基烷基，其中一个或多个亚甲基团可以选择性地被氧和/或硫原子取代；X为—NH—或氧或硫原子；Y为—NH—、氧或硫原子或亚砜基或砜基团；Z为单键或—NR6—；R6表示氢原子或低碳基烷基；n为0至15的整数；以及它们的盐和溶剂化物。本发明的化合物可用作药物组合物，特别是作为酰基辅酶A胆固醇酰基转移酶（ACAT）抑制剂。
• Anilide compounds and pharmaceutical compositions comprising them
  申请人：Kowa Company, Ltd.

  公开号：US06825223B2

  公开（公告）日：2004-11-30

  The invention provides novel anilide compounds and pharmaceutical compositions comprising them. The invention relates to compounds of a formula: wherein Ar is an optionally-substituted aryl group; R4 and R5 are the same or different, and each is a hydrogen atom, a lower alkyl group, or a lower alkoxy group; and R4 and R5 may together form a lower alkylene group of which one or more methylene moieties may optionally be substituted by oxygen and/or sulfur atoms; X is —NH—, or an oxygen or sulfur atom; Y is —NH—, an oxygen or sulfur atom, or a sulfoxide or sulfone group; Z is a single bond, or —NR6—; R4 represents a hydrogen atom or a lower alkylene group; and n is an integer of from 0 to 15; and their salts and solvates. The compounds of the invention are useful as pharmaceutical compositions, especially as acyl coenzyme A cholesterol acyltransferase (ACAT) inhibitors.

  本发明提供了新型的苯酰胺类化合物和含有它们的药物组合物。本发明涉及以下式子的化合物：其中Ar是可选取代的芳基；R4和R5相同或不同，每个是氢原子、较低的烷基或较低的烷氧基；R4和R5可以共同形成一种较低的烷基，其中一个或多个亚甲基团可以选择性地被氧和/或硫原子取代；X是—NH—，或氧或硫原子；Y是—NH—，氧或硫原子，或亚砜或磺酰基；Z是单键，或—NR6—；R4表示氢原子或较低的烷基；n是0至15的整数；以及它们的盐和溶剂化物。本发明的化合物可用作药物组合物，特别是作为酰辅酶A胆固醇酰基转移酶（ACAT）抑制剂。
• Anilide compounds, including use thereof in ACAT inhibitition
  申请人：Kowa Company, Ltd.

  公开号：US06204278B1

  公开（公告）日：2001-03-20

  The invention provides novel anilide compounds and pharmaceutical compositions comprising them. The invention relates to compounds of a formula: where Ar is an optionally-substituted aryl group; R4 and R5 are the same or different, and each is a hydrogen atom, a lower alkyl group, or a lower alkoxy group; and R4 and R5 may together form a lower alkylene group of which one or more methylene moieties may optionally be substituted by oxygen and/or sulfur atoms; X is —NH—, or oxygen or sulfur atom; Y is —NH—, an oxygen or sulfur atom, or a sulfoxide or sulfone group; Z is a single bond, or —NH6—; R6 represents a hydrogen atom or a lower alkylene group; and n is an integer of from 0 to 15; and their salts and solvates. The compounds of the invention are useful as pharmaceutical compositions, especially as acyl coenzyme A cholesterol acyltransferase (ACAT) inhibitors.

  本发明提供了新型苯酰胺类化合物和包含它们的药物组合物。本发明涉及的化合物的化学式为：其中，Ar是可选取代的芳基；R4和R5相同或不同，分别是氢原子、低碳基或低氧基基团；R4和R5可以共同形成低碳亚基，其中一个或多个亚甲基团可以选择性地被氧和/或硫原子取代；X为—NH—、氧原子或硫原子；Y为—NH—、氧原子或硫原子，或者为亚砜基或磺酰基；Z为单键或—NH6—；R6代表氢原子或低碳亚基；n为0到15的整数；以及它们的盐和溶剂化物。本发明的化合物可用作药物组合物，特别是作为酰辅酶A胆固醇酰转移酶（ACAT）抑制剂。
• Anilide compounds as ACAT inhibitors
  申请人：KOWA COMPANY LTD.

  公开号：EP0807627A2

  公开（公告）日：1997-11-19

  The invention provides novel anilide compounds and pharmaceutical compositions comprising them. The invention relates to compounds of a formula: where Ar is an optionally-substituted aryl group; R4 and R5 are the same or different, and each is a hydrogen atom, a lower alkyl group, or a lower alkoxy group; and R4 and R5 may together form a lower alkylene group of which one or more methylene moieties may optionally be substituted by oxygen and/or sulfur atoms; X is -NH-, or an oxygen or sulfur atom; Y is -NH-, an oxygen or sulfur atom, or a sulfoxide or sulfone group; Z is a single bond, or -NR6-; R6 represents a hydrogen atom or a lower alkylene group; and n is an integer of from 0 to 15; and their salts and solvates. The compounds of the invention are useful as pharmaceutical compositions, especially as acyl coenzyme A cholesterol acyltransferase (ACAT) inhibitors.

  本发明提供了新型苯胺化合物及其药物组合物。 本发明涉及式如下的化合物： 其中 Ar 是任选取代的芳基； R4 和 R5 相同或不同，且各自为氢原子、低级烷基或低级烷氧基；R4 和 R5 可共同形成低级亚烷基，其中一个或多个亚甲基可任选被氧原子和/或硫原子取代； X 是-NH-、氧原子或硫原子； Y 是-NH-、氧原子或硫原子、亚砜或砜基； Z 是单键，或 -NR6-； R6 代表氢原子或低级亚烷基；以及 n 是 0 至 15 的整数； 以及它们的盐和溶剂。 本发明的化合物可用作药物组合物，尤其是酰基辅酶 A 胆固醇酰基转移酶（ACAT）抑制剂。
• NOVEL ANILIDE COMPOUNDS AND DRUGS CONTAINING THE SAME
  申请人：Kowa Co., Ltd.

  公开号：EP1020451A1

  公开（公告）日：2000-07-19

  The invention relates to a novel anilide compound and a pharmaceutical composition comprising the same. The invention relates to a compound represented by the following general formula:    represents a divalent residue of benzene with a substituent(s), heterocycle-condensed benzene which may or may not have a substituent, pyridine which may or may not have a substituent, cyclohexane or naphthalene or Ar represents an aryl group which may or may not have a substituent; X represents -NH-, oxygen atom or sulfur atom; Y represents -NR4-, oxygen atom, sulfur atom, sulfoxide or sulfone; Z represents single bond or -NR5-; R4 represents hydrogen atom, a lower alkyl group, an aryl group or a silylated lower alkyl group which may or may not have a substituent; R5 represents hydrogen atom, a lower alkyl group, an aryl group or a silylated lower alkyl group which may or may not have a substituent; and n represents an integer of 0 to 15. The inventive compounds are useful in the form of pharmaceutical composition, specifically as acyl coenzyme A cholesterol acyltransferase (ACAT) inhibitor.

  本发明涉及一种新型苯胺化合物和含有该化合物的药物组合物。本发明涉及由以下通式代表的化合物： 代表带有取代基的苯、可能带有也可能不带取代基的杂环缩合苯、可能带有也可能不带取代基的吡啶、环己烷或萘的二价残基 或 Ar 代表芳基，可以有取代基，也可以没有取代基； X 代表-NH-、氧原子或硫原子； Y 代表-NR4-、氧原子、硫原子、亚砜或砜； Z 代表单键或-NR5-； R4 代表氢原子、低级烷基、芳基或硅烷化低级烷基，可带有或不带有取代基； R5 代表氢原子、低级烷基、芳基或硅烷化低级烷基，可以有或没有取代基；以及 n 代表 0 至 15 的整数。 本发明化合物以药物组合物的形式使用，特别是作为酰基辅酶 A 胆固醇酰基转移酶（ACAT）抑制剂。