3-Amino-4-[3-(3-piperidinomethylphenoxy)propylamino]-1,2,5-thiadiazole 1-oxide | 78442-39-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-Amino-4-[3-(3-piperidinomethylphenoxy)propylamino]-1,2,5-thiadiazole 1-oxide
• 英文别名: L 643441；1-Oxido-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylimino]-1,2,5-thiadiazol-1-ium-3-amine；1-oxido-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylimino]-1,2,5-thiadiazol-1-ium-3-amine
• CAS: 78442-39-4
• 化学式: C₁₇H₂₅N₅O₂S
• 分子量: 363.484
• InChiKey: DUPAVAVETJQPOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-Amino-4-[3-(3-piperidinomethylphenoxy)propylamino]-1,2,5-thiadiazole 1-oxide 生成 N-[3-(3-Piperidinomethylphenoxy)propyl]ethanediimidamide trihydrochloride
  参考文献：
  名称：

  CRENSHAW, R. R.;ALGIERI, A. A.

  摘要：

  DOI：
• 作为产物：
  描述：

  N-3-[3-(1-哌啶甲基)-苯氧基]丙胺 、 4-乙氧基-1,2,5-噻二唑-3-胺1-氧化物 以 乙腈 为溶剂， 生成 3-Amino-4-[3-(3-piperidinomethylphenoxy)propylamino]-1,2,5-thiadiazole 1-oxide
  参考文献：
  名称：

  胃酸分泌抑制剂：一系列组胺H2受体拮抗剂中的3,4-二氨基-1,2,5-噻二唑1-氧化物和1,1-二氧化物尿素当量。

  摘要：

  DOI：

  10.1021/jm00345a002

文献信息

• Substituted 3,4-diamino-1,2,5-thiadiazoles having histamine H.sub.2
  申请人：Bristol-Myers Company

  公开号：US04528377A1

  公开（公告）日：1985-07-09

  Histamine H.sub.2 -receptor antagonists of the formula ##STR1## wherein A, m, Z, n and R.sup.1 are as defined herein, and their nontoxic pharmaceutically acceptable salts, hydrates and solvates are novel anti-ulcer agents which are prepared by ring closure of a substituted ethanediimidamide of the formula ##STR2## .

  组成式为##STR1##的组胺H.sub.2-受体拮抗剂，其中A、m、Z、n和R.sup.1如本文所定义，并且它们的非毒性药用盐、水合物和溶剂合物是新型抗溃疡药物，通过环闭合取代的乙二亚胺酰胺的组成式##STR2##制备而成。
• Process for preparing 1,2,5-thiadiazoles
  申请人：Bristol-Myers Company

  公开号：US04440933A1

  公开（公告）日：1984-04-03

  Histamine H.sub.2 -receptor antagonists of the formula ##STR1## wherein A, m, Z, n and R.sup.1 are as defined herein, and their nontoxic pharmaceutically acceptable salts, hydrates and solvates are novel anti-ulcer agents which are prepared by ring closure of a substituted ethanediimidamide of the formula ##STR2## with a compound of the formula R--S--R in which R is as defined herein.

  组成式为##STR1##的组胺H.sub.2-受体拮抗剂，其中A、m、Z、n和R.sup.1如本文所定义，以及它们的无毒药用可接受的盐、水合物和溶剂化合物是新型抗溃疡剂，通过将组成式为##STR2##的取代乙二亚胺环闭合物与组成式为R--S--R的化合物进行环闭合制备。
• Intermediates for preparing 3,4-diamino-1,2,5-thiadiazoles
  申请人：Bristol-Myers Company

  公开号：US04517366A1

  公开（公告）日：1985-05-14

  Histamine H.sub.2 -receptor antagonists of the formula ##STR1## wherein A, m, Z, n and R.sup.1 are as defined herein, and their nontoxic pharmaceutically acceptable salts, hydrates and solvates are novel anti-ulcer agents which are prepared by ring closure of a substituted ethanediimidamide of the formula ##STR2##

  组成公式为##STR1##的组胺H.sub.2-受体拮抗剂，其中A、m、Z、n和R.sup.1如本文所定义，并且它们的无毒药学上可接受的盐、水合物和溶剂化合物是新型抗溃疡药物，通过环闭合制备自##STR2##的取代乙二酰胺。
• Thiadiazole histamine H.sub.2 -antagonists
  申请人：Bristol-Myers Company

  公开号：US04471122A1

  公开（公告）日：1984-09-11

  Histamine H.sub.2 -antagonists of the formula ##STR1## wherein p is 1 or 2; R.sup.1 is hydroxy, amino, substituted amino or a 5- to 9-membered fully saturated nitrogen-containing heterocyclic ring attached via its nitrogen atom; m is an integer of from 0 to 2; n is an integer of from 2 to 4; Z is sulfur, oxygen or methylene; and A is an optionally substituted phenyl, imidazolyl, thiazolyl, isothiazolyl, oxazolyl, isoxazolyl, triazolyl, thiadiazolyl, oxadiazolyl, furyl, thienyl or pyridyl ring; and nontoxic pharmaceutically acceptable salts, hydrates, solvates or N-oxides thereof are novel anti-ulcer agents. Intermediates and processes for their preparation are disclosed.

  组织名称为##STR1##的组织胺H.sub.2-拮抗剂，其中p为1或2；R.sup.1为羟基、氨基、取代氨基或通过其氮原子连接的含氮5-至9-成员完全饱和的杂环环；m为0到2的整数；n为2到4的整数；Z为硫、氧或亚甲基；A为可选择取代的苯基、咪唑基、噻唑基、异噻唑基、噁唑基、异噁唑基、三唑基、噻二唑基、噁二唑基、呋喃基、噻吩基或吡啶基环；以及其新型抗溃疡剂的无毒药用盐、水合物、溶剂合物或N-氧化物。披露了其制备的中间体和方法。
• Chemical compounds
  申请人：Bristol-Myers Company

  公开号：US04394508A1

  公开（公告）日：1983-07-19

  Histamine H.sub.2 -antagonists of the formula ##STR1## wherein p is 1 or 2; R.sup.1 is hydroxy, amino, substituted amino or a 5- to 9-membered fully saturated nitrogen-containing heterocyclic ring attached via its nitrogen atom; m is an integer of from 0 to 2; n is an integer of from 2 to 4; Z is sulfur, oxygen or methylene; and A is an optionally substituted phenyl, imidazolyl, thiazolyl, isothiazolyl, oxazolyl, isoxazolyl, triazolyl, thiadiazolyl, oxadiazolyl, furyl, thienyl or pyridyl ring; and nontoxic pharmaceutically acceptable salts, hydrates, solvates or N-oxides thereof are novel anti-ulcer agents. Intermediates and processes for their preparation are disclosed.

  组胺H.sub.2-拮抗剂的化学结构为##STR1##，其中p为1或2；R.sup.1为羟基、氨基、取代氨基或通过其氮原子连接的5至9成员完全饱和的含氮杂环环；m为0至2的整数；n为2至4的整数；Z为硫、氧或亚甲基；A为可选择取代的苯基、咪唑基、噻唑基、异噻唑基、噁唑基、异噁唑基、三唑基、噻二唑基、噁二唑基、呋喃基、噻吩基或吡啶基环；以及其非毒性的药学可接受的盐、水合物、溶剂合物或N-氧化物是新型抗溃疡药物。揭示了其中间体和制备方法。