N-cyano-N'-{2-[(2-guanidinothiazol-4-yl)methylthio]ethyl}-S-methylisothiourea | 69014-11-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-cyano-N'-{2-[(2-guanidinothiazol-4-yl)methylthio]ethyl}-S-methylisothiourea
• 英文别名: N-cyano-N'-{2-[(2-guanidino-4-thiazolyl)methylthio]ethyl}-S-methylisothiourea；2-Guanidino-4-[2-(3-cyano-2-methylisothioureido)ethylthiomethyl]thiazole；methyl N-cyano-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]carbamimidothioate
• CAS: 69014-11-5
• 化学式: C₁₀H₁₅N₇S₃
• 分子量: 329.474
• InChiKey: BSRYQVAYLHEYGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  204
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-cyano-N'-{2-[(2-guanidinothiazol-4-yl)methylthio]ethyl}-S-methylisothiourea 生成 (Z)-but-2-enedioic acid;1-cyano-3-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-(2-hydroxy-2-phenylethyl)guanidine
  参考文献：
  名称：

  HIRAI, SHIRO;HIRANO, HIROSHI;ARAI, HIROTOSHI;KIBA, YASUO;SHIBATA, HISANAR+

  摘要：

  DOI：

文献信息

• Thiazole derivatives
  申请人：Bristol-Myers Company

  公开号：US04200578A1

  公开（公告）日：1980-04-29

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 and R.sup.3 each are independently hydrogen, (lower)alkyl, guanidino or --(CH.sub.2).sub.p NR.sup.4 R.sup.5 ; R.sup.4 and R.sup.5 each are independently hydrogen, (lower)alkyl or phenyl; n is 2 or 3; p is 1, 2 or 3; X is NR.sup.6 or CHR.sup.6 ; R.sup.6 is cyano, nitro, SO.sub.2 Ar or SO.sub.2 (lower)alkyl; and Ar is phenyl or phenyl containing 1 or 2 substituents selected from halogen and (lower)alkyl; and nontoxic, pharmaceutically acceptable salts thereof, are potent anti-ulcer agents.

  式为##STR1##的化合物，其中R.sup.1是含有3至9个碳原子的直链或支链炔基团；R.sup.2和R.sup.3分别独立地是氢、(较低)烷基、胍基或--(CH.sub.2).sub.p NR.sup.4 R.sup.5；R.sup.4和R.sup.5分别独立地是氢、(较低)烷基或苯基；n为2或3；p为1、2或3；X为NR.sup.6或CHR.sup.6；R.sup.6为氰基、硝基、SO.sub.2 Ar或SO.sub.2 (较低)烷基；Ar为苯基或含有1或2个卤素和(较低)烷基的苯基；以及其无毒、药用可接受的盐，是有效的抗溃疡药物。
• H2-Antihistaminika, 25. Mitt. Synthese und H2-antagonistische Wirkung monosubstituierter 1,2,4-Oxadiazol-3,5-diamine
  作者：Irene Krämer、Walter Schunack

  DOI：10.1002/ardp.19853181006

  日期：——

  Es wurden die N3‐ bzw. N5‐substituierten 1,2,4‐Oxadiazol‐3,5‐diamine 4a‐e und 5a‐e dargestellt und auf Histamin‐H2‐antagonistische Aktivitat untersucht.

  制备 N3-和 N5-取代的 1,2,4-恶二唑-3,5-二胺 4a-e 和 5a-e 并检查组胺 H2 拮抗活性。
• Novel amine derivatives, salts thereof and an anti-ulcer agent
  申请人：Toyama Chemical Co., Ltd.

  公开号：US04923882A1

  公开（公告）日：1990-05-08

  This invention relates to amine derivatives and salts thereof. These compounds have an anti-ulcer activity which is effective to human beings and animals. This disclosure relates to such compound, a process for the preparation thereof and an anti-ulcer agent containing the same.

  本发明涉及胺衍生物及其盐。这些化合物具有对人类和动物有效的抗溃疡活性。本公开涉及这种化合物、其制备方法和含有该化合物的抗溃疡剂。
• Guanidine derivatives of imidazoles and thiazoles
  申请人：ICI Americas Inc.

  公开号：US04165378A1

  公开（公告）日：1979-08-21

  The invention relates to guanidine derivatives of imidazoles and thiazoles which are histamine H-2 antagonists and which inhibit the secretion of gastric acid, to methods for their manufacture, to pharmaceutical compositions containing them and to methods of using such guanidine derivatives and compositions. The guanidine derivatives are of the general formula I: ##STR1## in which X is S or NH, Y is O, S, or SO, m is 1 to 4 and n is suitably 1 to 4, R.sup.1 is hydrogen, halogen or alkyl, R.sup.2 is hydrogen, alkyl, alkanoyl or aroyl, A is a 3,4-dioxocyclobuten-1,2-diyl radical or C=Z in which Z is O, S, NCN, NNO.sub.2, CHNO.sub.2, NCONH.sub.2, C(CN).sub.2, NCOR.sup.3, NCO.sub.2 R.sup.3, NSO.sub.2 R.sup.3 or NR.sup.4 in which R.sup.3 is alkyl or aryl and R.sup.4 is hydrogen or alkyl, B is alkoxy or alkylthio or NR.sup.5 R.sup.6 in which R.sup.5 and R.sup.6 are independently hydrogen, alkyl, alkenyl, cycloalkyl, hydroxyalkyl, alkoxyalkyl, alkylaminoalkyl or dialkylaminoalkyl; and the salts thereof.

  本发明涉及咪唑和噻唑的胍衍生物，它们是组胺H-2拮抗剂，可以抑制胃酸的分泌，涉及它们的制备方法，含有它们的制药组合物以及使用这些胍衍生物和组合物的方法。该胍衍生物的一般式为I：##STR1## 其中X为S或NH，Y为O，S或SO，m为1至4，n适宜为1至4，R.sup.1为氢，卤素或烷基，R.sup.2为氢，烷基，烷酰基或芳酰基，A为3,4-二氧代环丁烯-1,2-二基基团或C=Z，其中Z为O，S，NCN，NNO.sub.2，CHNO.sub.2，NCONH.sub.2，C(CN).sub.2，NCOR.sup.3，NCO.sub.2R.sup.3，NSO.sub.2R.sup.3或NR.sup.4，其中R.sup.3为烷基或芳基，R.sup.4为氢或烷基，B为烷氧基或烷硫基或NR.sup.5R.sup.6，其中R.sup.5和R.sup.6独立地为氢，烷基，烯基，环烷基，羟基烷基，烷氧基烷基，烷基氨基烷基或二烷基氨基烷基；以及它们的盐。
• Intermediates for urea and thiourea derivatives
  申请人：Toyama Chemical Co., Ltd.

  公开号：US04643849A1

  公开（公告）日：1987-02-17

  This invention relates to amine derivatives and salts thereof. These compounds have an anti-ulcer activity which is effective to human beings and animals. This disclosure relates to such compounds, a process for the preparation thereof and an anti-ulcer agent containing the same.

  本发明涉及胺衍生物及其盐。这些化合物具有对人类和动物有效的抗溃疡活性。本公开涉及这些化合物，其制备过程和含有它们的抗溃疡剂。