3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide | 80357-80-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide
• CAS: 80357-80-8
• 化学式: C₁₆H₁₄N₂OS₂
• mdl: MFCD03136849
• 分子量: 314.432
• InChiKey: ZTDBYTQKLFULCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(2-苯并噻唑硫代)丙酸 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 4.0h， 生成 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide
  参考文献：
  名称：

  具有预期生物活性的2-巯基苯并噻唑衍生物的合成和反应

  摘要：

  DOI：

  10.1021/je00028a032

文献信息

• Novel amide compounds and medications containing the same
  申请人：Shibuya Kimiyuki

  公开号：US20050131002A1

  公开（公告）日：2005-06-16

  The present invention provides to a novel compound having an ACAT inhibiting activity. The present invention relates to compounds represented by formula (I) wherein represents an optionally substituted divalent residue such as benzene, pyridine, cyclohexane or naphthalene, or a group, Het represents a 5- to 8-membered, substituted or unsubstituted heterocyclic group containing at least one heteroatom selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, such as a monocyclic group, a polycyclic group or a group of a fused ring, X represents —NH—, an oxygen atom or a sulfur atom, Y represents —NR 4 —, an oxygen atom, a sulfur atom, a sulfoxide or a sulfone, Z represents a single bond or —NR 5 —, R 4 represents a hydrogen atom, a lower alkyl group, an aryl group or an optionally substituted silyl lower alkyl group, R 5 represents a hydrogen atom, a lower alkyl group, an aryl group or an optionally substituted silyl lower alkyl group, and n is an integer of from 1 to 15, or salts or solvates thereof, and a pharmaceutical composition containing at least one of these compounds.

  本发明提供了一种具有ACAT抑制活性的新化合物。本发明涉及由式(I)表示的化合物，其中表示一种可选取代的二价残基，例如苯，吡啶，环己烷或萘，或者一个基团，Het表示一种5-至8-成员的取代或未取代的杂环基团，其中至少包含从氮原子，氧原子和硫原子中选取的一种杂原子，例如单环基团，多环基团或融合环的基团，X表示-NH-，氧原子或硫原子，Y表示-NR4-，氧原子，硫原子，亚砜或磺酰基，Z表示单键或-NR5-，R4表示氢原子，低碳基，芳基或可选取代的硅烷低碳基，R5表示氢原子，低碳基，芳基或可选取代的硅烷低碳基，n为1到15的整数，或其盐或溶剂，以及含有这些化合物中至少一种的药物组合物。
• Novel amide compounds and medications containing the same technical field
  申请人：Shibuya Kimiyuki

  公开号：US20050131001A1

  公开（公告）日：2005-06-16

  The present invention provides to a novel compound having an ACAT inhibiting activity. The present invention relates to compounds represented by formula (I) wherein represents an optionally substituted divalent residue such as benzene, pyridine, cyclohexane or naphthalene, or a group, Het represents a 5- to 8-membered, substituted or unsubstituted heterocyclic group containing at least one heteroatom selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, such as a monocyclic group, a polycyclic group or a group of a fused ring, X represents —NH—, an oxygen atom or a sulfur atom, Y represents —NR 4 —, an oxygen atom, a sulfur atom, a sulfoxide or a sulfone, Z represents a single bond or —NR 5 —, R 4 represents a hydrogen atom, a lower alkyl group, an aryl group or an optionally substituted silyl lower alkyl group, R 5 represents a hydrogen atom, a lower alkyl group, an aryl group or an optionally substituted silyl lower alkyl group, and n is an integer of from 1 to 15, or salts or solvates thereof, and a pharmaceutical composition containing at least one of these compounds.

  本发明提供了一种具有ACAT抑制活性的新化合物。本发明涉及由式(I)表示的化合物，其中表示可选取代的二价残基，例如苯，吡啶，环己烷或萘，或基团，Het表示包含至少一种异原子（从氮原子，氧原子和硫原子中选择）的5-至8-成员取代或未取代的杂环基团，例如单环基团，多环基团或融合环基团，X表示-NH-，氧原子或硫原子，Y表示-NR4-，氧原子，硫原子，亚砜或磺酰基，Z表示单键或-NR5-，R4表示氢原子，低碳基，芳基或可选取代的硅基低碳基，R5表示氢原子，低碳基，芳基或可选取代的硅基低碳基，n为1至15的整数，或其盐或溶剂，以及含有这些化合物中至少一种的药物组合物。
• 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 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。