5-tetradecylthio-2-furoic acid | 54907-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 5-tetradecylthio-2-furoic acid
• 英文别名: 5-tetradecylsulfanylfuran-2-carboxylic acid
• CAS: 54907-94-7
• 化学式: C₁₉H₃₂O₃S
• 分子量: 340.527
• InChiKey: YSVNTPMPGUBZFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  23
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-溴-2-糠酸 、 正十四烷基硫醇 以 N-甲基乙酰胺 、 甲醇 为溶剂， 生成 5-tetradecylthio-2-furoic acid
  参考文献：
  名称：

  Hypolipidemic agents RO- or RS- substituted furoic acids, esters and

  摘要：

  以下一般结构的取代呋酸和酯及其药用可接受盐可用作降脂药物：其中Y代表氧或二价硫；R代表含有从10到20个碳原子的直链或支链烷基链，可以是饱和的，也可以是不饱和的，含有从1到4个双键；R.sup.1代表氢，含有从1到6个碳原子的直链或支链较低的烷基，苄基，苯乙基，吡啶基甲基，含有从3到6个碳原子的烷基多聚物，1,2,3,4,5,6-环己烷六基，或Z；Z代表(A)组##STR2##其中n是2或3的整数；R.sup.2代表含有从1到4个碳原子的直链或支链较低的烷基，或酰基；R.sup.3代表氢或含有从1到4个碳原子的直链或支链较低的烷基，但当R.sup.3为氢时，R.sup.2为酰基；或当R.sup.2不是酰基时，R.sup.2和R.sup.3与各自连接的氮原子一起形成单环杂环基团，如吡咯啉基，哌啶基，吗啉基或哌嗪基；或(B)组##STR3##其中整数M和P的总和等于3到5；R.sup.4代表含有从1到4个碳原子的直链或支链较低的烷基；X是从1到6的整数，但当R.sup.1为烷基多聚物或1,2,3,4,5,6-环己烷六基时，X等于2到6，当R.sup.1不是烷基多聚物或1,2,3,4,5,6-环己烷六基时，X等于1。

  公开号：

  US04110351A1

文献信息

• Hypolipidemic composition and method of use
  申请人：Richardson-Merrell Inc.

  公开号：US04146623A1

  公开（公告）日：1979-03-27

  Substituted furoic acids and esters and pharmaceutically acceptable salts thereof of the following general structure are useful as hypolipidemic agents: ##STR1## wherein Y represents oxygen or divalent sulfur; R represents a straight or branched alkyl chain containing from 10 to 20 carbon atoms and may be saturated or may be unsaturated containing from 1 to 4 double bonds; R.sup.1 represents hydrogen, straight or branched lower alkyl of from 1 to 6 carbon atoms, benzyl, phenethyl, pyridylmethyl, alkane-poly-yl containing from 3 to 6 carbon atoms, 1,2,3,4,5,6-cyclohexanehexayl, or Z; Z represents ##STR2## wherein n is an integer of 2 or 3; R.sup.2 represents straight or branched lower alkyl of from 1 to 4 carbon atoms, or acyl; R.sup.3 represents hydrogen or straight or branched lower alkyl of from 1 to 4 carbon atoms with the proviso that when R.sup.3 is hydrogen, R.sup.2 is acyl; or when R.sup.2 is other than acyl, R.sup.2 and R.sup.3 taken together with the nitrogen atom to which each is attached form a monocyclic heterocyclic group, such as pyrrolidino, piperidino, morpholino, or piperazino; or ##STR3## wherein the sum of the integers m and p is equal to from 3 to 5; and R.sup.4 represents straight or branched lower alkyl of from 1 to 4 carbon atoms; X is an integer of from 1 to 6 with the proviso that when R.sup.1 is alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to from 2 to 6, and when R.sup.1 is other than alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to 1.

  以下一般结构的取代呋喃酸、酯和其药学上可接受的盐被用作降脂药物：其中，Y代表氧或二价硫；R代表含有10至20个碳原子的直链或支链烷基链，可以是饱和的或不饱和的，含有1至4个双键；R.sup.1代表氢、1至6个碳原子的直链或支链低烷基、苄基、苯乙基、吡啶甲基、含有3至6个碳原子的烷基多聚物、1,2,3,4,5,6-环己烷己基或Z；Z代表##STR2##其中n是2或3的整数；R.sup.2代表1至4个碳原子的直链或支链低烷基或酰基；R.sup.3代表氢或1至4个碳原子的直链或支链低烷基，但当R.sup.3为氢时，R.sup.2为酰基；或当R.sup.2不为酰基时，R.sup.2和R.sup.3与它们各自连接的氮原子一起形成单环杂环基团，如吡咯烷基、哌啶基、吗啉基或哌嗪基；或##STR3##其中整数m和p的总和等于3至5；R.sup.4代表1至4个碳原子的直链或支链低烷基；X是1至6的整数，但当R.sup.1为烷基多聚物或1,2,3,4,5,6-环己烷己基时，X等于2至6，当R.sup.1不为烷基多聚物或1,2,3,4,5,6-环己烷己基时，X等于1。
• US4146623A
  申请人：——

  公开号：US4146623A

  公开（公告）日：1979-03-27
• US4110351A
  申请人：——

  公开号：US4110351A

  公开（公告）日：1978-08-29
• Hypolipidemic agents RO- or RS- substituted furoic acids, esters and
  申请人：Richardson-Merrell Inc.

  公开号：US04110351A1

  公开（公告）日：1978-08-29

  Substituted furoic acids and esters and pharmaceutically acceptable salts thereof of the following general structure are useful as hypolipidemic agents: ##STR1## wherein Y represents oxygen or divalent sulfur; R represents a straight or branched alkyl chain containing from 10 to 20 carbon atoms and may be saturated or may be unsaturated containing from 1 to 4 double bonds; R.sup.1 represents hydrogen, straight or branched lower alkyl of from 1 to 6 carbon atoms, benzyl, phenethyl, pyridylmethyl, alkane-poly-yl containing from 3 to 6 carbon atoms, 1,2,3,4,5,6-cyclohexanehexayl, or Z; Z represents (A) the group ##STR2## wherein n is an integer of 2 or 3; R.sup.2 represents straight or branched lower alkyl of from 1 to 4 carbon atoms, or acyl; R.sup.3 represents hydrogen or straight or branched lower alkyl of from 1 to 4 carbon atoms with the proviso that when R.sup.3 is hydrogen, R.sup.2 is acyl; or when R.sup.2 is other than acyl, R.sup.2 and R.sup.3 taken together with the nitrogen atom to which each is attached form a monocyclic heterocyclic group, such as pyrrolidino, piperidino, morpholino, or piperazino; or (B) the group ##STR3## WHEREIN THE SUM OF THE INTEGERS M AND P IS EQUAL TO FROM 3 TO 5; AND R.sup.4 represents straight or branched lower alkyl of from 1 to 4 carbon atoms; X is an integer of from 1 to 6 with the proviso that when R.sup.1 is alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to from 2 to 6, and when R.sup.1 is other than alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to 1.

  以下一般结构的取代呋酸和酯及其药用可接受盐可用作降脂药物：其中Y代表氧或二价硫；R代表含有从10到20个碳原子的直链或支链烷基链，可以是饱和的，也可以是不饱和的，含有从1到4个双键；R.sup.1代表氢，含有从1到6个碳原子的直链或支链较低的烷基，苄基，苯乙基，吡啶基甲基，含有从3到6个碳原子的烷基多聚物，1,2,3,4,5,6-环己烷六基，或Z；Z代表(A)组##STR2##其中n是2或3的整数；R.sup.2代表含有从1到4个碳原子的直链或支链较低的烷基，或酰基；R.sup.3代表氢或含有从1到4个碳原子的直链或支链较低的烷基，但当R.sup.3为氢时，R.sup.2为酰基；或当R.sup.2不是酰基时，R.sup.2和R.sup.3与各自连接的氮原子一起形成单环杂环基团，如吡咯啉基，哌啶基，吗啉基或哌嗪基；或(B)组##STR3##其中整数M和P的总和等于3到5；R.sup.4代表含有从1到4个碳原子的直链或支链较低的烷基；X是从1到6的整数，但当R.sup.1为烷基多聚物或1,2,3,4,5,6-环己烷六基时，X等于2到6，当R.sup.1不是烷基多聚物或1,2,3,4,5,6-环己烷六基时，X等于1。