(C-methylsulfanylcarbonimidoyl)azanium;sulfate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: (C-methylsulfanylcarbonimidoyl)azanium;sulfate
• 化学式: C4H14N4O4S3
• mdl: MFCD00013055
• 分子量: 278.4
• InChiKey: BZZXQZOBAUXLHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.41
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  233
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (C-methylsulfanylcarbonimidoyl)azanium;sulfate 、 炔丙胺 在 异丙醇 、 甲醇 、 水 、 ice 作用下， 以 水 为溶剂， 反应 54.0h， 以to give 1-propargylguanidine sulfate (m.p. 200°-201° C.)的产率得到1-Propargylguanidine sulfate
  参考文献：
  名称：

  Method for the treatment of arrhythmia

  摘要：

  一种通过给予氨基脲类化合物治疗心律失常的方法。

  公开号：

  US04178387A1

文献信息

• Method for treatment of gastrointestinal secretory and ulcerogenic
  申请人：William H. Rorer, Inc.

  公开号：US04169155A1

  公开（公告）日：1979-09-25

  A new class of chemical compounds and their process of preparation is described. These compounds have valuable properties as anti-secretory, anti-spasmodic, anti-ulcerogenic and anti-diarrheal agents.

  描述了一种新型化合物及其制备过程。这些化合物具有抗分泌、抗痉挛、抗溃疡和抗腹泻药物的有价值性能。
• Sulfonamide derivatives, their production and use
  申请人：——

  公开号：US20020193382A1

  公开（公告）日：2002-12-19

  The present invention is to provide a compound or a salt thereof represented by the formula: 1 wherein R 1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, the ring A is an optionally substituted divalent nitrogen-containing heterocyclic group, X′ is an optionally substituted alkylene chain, Y is an optionally substituted divalent cyclic group, X is a chemical bond or an optionally substituted alkylene chain, and Z is (1)an optionally substituted amino group, (2) an optionally substituted imidoyl group or (3) an optionally substituted nitrogen-containing heterocyclic group, or a pro-drug thereof, which have activated coagulation factor X inhibitory activity and which is useful as anti-coagulant.

  本发明提供了一种化合物或其盐，其化学式为1，其中R1是可选取代的烃基或可选取代的杂环基，环A是可选取代的含氮双价杂环基，X'是可选取代的烷基链，Y是可选取代的双价环状基团，X是化学键或可选取代的烷基链，Z是（1）可选取代的氨基，（2）可选取代的咪唑基或（3）可选取代的含氮杂环基团，或其前药，具有活化凝血因子X抑制活性，可用作抗凝剂。
• Method of inhibiting histamine activity with guanidine compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US03968216A1

  公开（公告）日：1976-07-06

  A method of inhibiting histamine activity in particular inhibiting H-2 histamine receptors, by administering heterocyclicalkylguanidines.

  通过给予杂环烷基胍抑制组胺活性，特别是抑制H-2组胺受体的方法。
• (Substituted aralkyl) heterocyclic compounds
  申请人：Imperial Chemical Industries plc

  公开号：US04935437A1

  公开（公告）日：1990-06-19

  A (substituted-aralkyl)heterocyclic compound of the formula I ##STR1## wherein R.sup.1 is an azido, carbamoyl, cyano, formyl, hydroxy or nitro radical, a 1-6C 1-hydroxyalkyl, alkoxy, alkylcarbamoyl, alkylthio, alkylsulphinyl or alkylsulphonyl radical, a 2-cyanoethyl radical, optionally bearing one to four 1-6C alkyl substituents, or a 2-6C alkanoyl, halogenoalkanoyl, alkanoyloxy, alkanoylamino, dialkylcarbamoyl or alkoxycarbonyl radical; R.sup.2 and R.sup.3, which may be the same or different, are each a hydrogen atom, a 1-6C alkyl, dueterioalkyl or halogenoalkyl radical, or a phenyl or phenyl(1-6C alkyl) radical, in each of which the phenyl may optionally bear one or more substituents; or R.sup.2 and R.sup.3, together with the carbon atom to which they are attached, may form a 3- to 6-membered ring; or R.sup.1 R.sup.2 R.sup.3 C- is a 1,1-dicyanoethyl or trifluoromethylsulphonyl radical; R.sup.4 is a hydrogen or halogen atom, a cyano or nitro radical or a 1-6C alkyl or halogenoalkyl radical; R.sup.5 has any of the values defined above for the group R.sup.1 R.sup.2 R.sup.3 C but is not necessarily the same as R.sup.1 R.sup.2 R.sup.3 C, or has any of the values defined above for R.sup.4 but is not necesarily the same as R.sup.4, or is a carbamoyl, 1-pyrrolidinyl-carbonyl, piperidinocarbonyl, morpholinocarbonyl or nitro radical, a 1-6C alkoxy or halogenoalkoxy radical or a 2-6C alkanoyl or alkoxy-carbonyl radical; A is a methylene or ethylene radical optionally bearing one or more substituents selected from deuterium and halogen atoms, carbamoyl, cyano and hydroxy radicals, 1-6C alkyl and alkoxy radicals, and 2-6C alkanoyloxy radicals provided that when A is linked to R.sup.6 through a nitrogen atom thereof, it may not bear a hydroxy, alkoxy or alkanoyloxy substituent on the carbon atom adjacent to such nitrogen atoms; and R.sup.6 is a 1H-1,2,4-triazol-1-yl, 4H-1,2,4-triazol-4-yl, 1H-imidazol-1-yl, 5-cyano-1H-imidazol-1-yl, 3-pyridyl or 5-pyrimidinyl radical, or a 1H-imidazol-1-yl radical, bearing at the 5-position thereof a 1-6C alkyl substituent which is itself optionally substituted by one or more carbamoyl, cyano, hydroxy or 2-6C alkoxycarbonyl radicals; and provided that when R.sup.2, R.sup.3, R.sup.4 and R.sup.5 are hydrogen, A is a methylene radical and R.sup.6 is a 3-pyridyl radical, R.sup.1 is not a cyano, hydroxy or hydroxymethyl radical, and when R.sup.1 is a hydroxy radical, R.sup.3, R.sup.4 and R.sup.5 are hydrogen, A is a methylene radical and R.sup.6 is 3-pyridyl, R.sup.2 is not a methyl or a 2-chloro-1-methylethyl radical, and provided that when R.sup.1 is a methoxycarbonyl radical, R.sup.2, R.sup.3, R.sup.4 and R.sup.5 are hydrogen and A is a methylene radical, R.sub.1 is not a 1H-imidazol-1-yl radical; and the pharmaceutically acceptable acid addition salts thereof.

  化合物I的结构式如下：##STR1## 其中R.sup.1为偶氮基、氨基甲酰基、氰基、甲酰基、羟基或硝基基团、1-6C 1-羟基烷基、烷氧基、烷基氨甲酰基、烷基硫醇基、烷基亚磺酰基或烷基磺酰基基团、2-氰乙基基团，可选地带有1-4个1-6C烷基取代基，或为2-6C脂肪酰基、卤代脂肪酰基、脂肪酰氧基、脂肪酰胺基、二烷基氨基甲酰基或烷氧羰基基团；R.sup.2和R.sup.3，可以相同或不同，分别为氢原子、1-6C烷基、氘代烷基或卤代烷基基团，或苯基或苯基(1-6C烷基)基团，在其中苯基可以可选地带有一个或多个取代基；或R.sup.2和R.sup.3，连同它们所连接的碳原子，可以形成一个3-至6-成员环；或R.sup.1 R.sup.2 R.sup.3 C-为1,1-二氰基乙基或三氟甲基磺酰基基团；R.sup.4为氢或卤素原子、氰基或硝基基团或1-6C烷基或卤代烷基基团；R.sup.5具有上述R.sup.1 R.sup.2 R.sup.3 C基团定义的任何值，但不一定与R.sup.1 R.sup.2 R.sup.3 C相同，或具有上述R.sup.4定义的任何值，但不一定与R.sup.4相同，或为氨基甲酰基、1-吡咯啉基甲酰基、哌啶基甲酰基、吗啉基甲酰基或硝基基团、1-6C烷氧基或卤代烷氧基基团或2-6C脂肪酰基或烷氧羰基基团；A为甲基或乙基基团，可选地带有一个或多个取代基，所选取代基包括氘和卤素原子、氨基甲酰基、氰基和羟基基团、1-6C烷基和烷氧基、以及2-6C脂肪酰氧基取代基，但当A通过其中一个氮原子与R.sup.6连接时，它不能在相邻的碳原子上带有羟基、烷氧基或烷基羧酸酯取代基；而R.sup.6为1H-1,2,4-三唑-1-基、4H-1,2,4-三唑-4-基、1H-咪唑-1-基、5-氰基-1H-咪唑-1-基、3-吡啶基或5-嘧啶基基团，或1H-咪唑-1-基，其在5-位置带有一个1-6C烷基取代基，该烷基本身可选地被一个或多个氨基甲酰基、氰基、羟基或2-6C烷氧羰基基团取代；并且当R.sup.2、R.sup.3、R.sup.4和R.sup.5为氢时，A为甲基基团，而R.sup.6为3-吡啶基基团时，R.sup.1不是氰基、羟基或羟甲基基团，当R.sup.1为羟基基团时，R.sup.3、R.sup.4和R.sup.5为氢，A为甲基基团，而R.sup.6为3-吡啶基基团时，R.sup.2不是甲基或2-氯-1-甲基乙基基团；当R.sup.1为甲氧羰基基团时，R.sup.2、R.sup.3、R.sup.4和R.sup.5为氢，A为甲基基团时，R.sup.1不是1H-咪唑-1-基；以及其药学上可接受的酸盐。
• Method for the treatment of arrhythmia
  申请人：William H. Rorer, Inc.

  公开号：US04178387A1

  公开（公告）日：1979-12-11

  A method for the treatment of arrhythmia by administering amidinoureas.

  一种通过给予氨基脲类化合物治疗心律失常的方法。

表征谱图