N-[2-[[5-(二甲基氨基甲基)呋喃-2-基]甲硫基]乙基]-1-氧代-1,2,5-噻二唑-3,4-二胺 | 78441-82-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-[2-[[5-(二甲基氨基甲基)呋喃-2-基]甲硫基]乙基]-1-氧代-1,2,5-噻二唑-3,4-二胺
• 英文名称: 3-{2-[(5-dimethylaminomethyl-furan-2-yl)methylthio]ethylamino}-4-amino-1,2,5-thiadiazole 1-oxide
• 英文别名: BMY 25271；amino-4-{2-[(5-dimethylaminomethyl-furan-2-yl)methylthio]ethylamino}-1,2,5-thiadiazole 1-oxide；3-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}-4-amino-1,2,5-thiadiazole 1-oxide；3-amino-4-{2-[(5-dimethylaminomethyl-furan-2-yl)methylthio]ethylamino}-1,2,5-thiadiazole 1-oxide；3-amino-4-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}-1,2,5-thiadiazole 1-oxide；amino-4-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}-1,2,5-thiadiazole 1-oxide；1,2,5-Thiadiazole-3,4-diamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-, 1-oxide；4-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylimino]-1-oxido-1,2,5-thiadiazol-1-ium-3-amine
• CAS: 78441-82-4
• 化学式: C₁₂H₁₉N₅O₂S₂
• 分子量: 329.447
• InChiKey: IZTBLLPMEZOKSV-UHFFFAOYSA-N

物化性质

• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 储存条件：
  2-8℃

制备方法与用途

生物活性

BMY-25271 是一个组胺 H2 受体 (histamine H2 receptor) 拮抗剂。

靶点

Histamine H2 receptor

体内研究

BMY-25271 是一种组胺 H2 受体拮抗剂。通过概率分析获得的剂量响应曲线平行，口服 ED₅₀ 值分别为：BMY-25271（0.093 mg/kg）、雷尼替丁（0.97 mg/kg）和西咪替丁（6.9 mg/kg）。因此，BMY-25271 的效力分别是雷尼替丁和西咪替丁的约 10 和 74 倍。最高剂量预处理 BMY-25271 不会显著影响阿司匹林的吸收或其主要代谢物水杨酸的形成。

反应信息

• 作为反应物：
  描述：

  N-[2-[[5-(二甲基氨基甲基)呋喃-2-基]甲硫基]乙基]-1-氧代-1,2,5-噻二唑-3,4-二胺 以52%的产率得到
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  2-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]ethanediimidamide;trihydrochloride 生成 N-[2-[[5-(二甲基氨基甲基)呋喃-2-基]甲硫基]乙基]-1-氧代-1,2,5-噻二唑-3,4-二胺
  参考文献：
  名称：

  摘要：

  DOI：

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。