methyl-N-cyano-1-methyl-2-(phenylmethylene)hydrazinecarboximidothioate | 73278-87-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl-N-cyano-1-methyl-2-(phenylmethylene)hydrazinecarboximidothioate
• 英文别名: N-Cyano-1-methyl-2-(phenylmethylene)hydrazinecarboximidothioic acid, methyl ester；methyl N-cyano-1-methyl-2-(phenylmethylene)-hydrazinecarboximidothioate；methyl N-(benzylideneamino)-N'-cyano-N-methylcarbamimidothioate
• CAS: 73278-87-2
• 化学式: C₁₁H₁₂N₄S
• 分子量: 232.309
• InChiKey: STFQKTFSSBLPHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  77
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl-N-cyano-1-methyl-2-(phenylmethylene)hydrazinecarboximidothioate 、 4-Methyl-5-[(2-amino-ethyl)thiomethyl]-imidazole dihydrochloride 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  H2 抗组胺药，第 35 届 Mitt. 咪唑基甲硫基烷基取代的 1,2,4-三唑的合成和 H2 拮抗作用

  摘要：

  制备了单、二和三取代的 1,2,4-三唑衍生物并检查了组胺 H2 拮抗活性。

  DOI：

  10.1002/ardp.19873200613
• 作为产物：
  描述：

  N-(苄亚基氨基)甲胺 、 N-氰亚胺基-S,S-二硫代碳酸二甲酯 以 乙腈 为溶剂， 生成 methyl-N-cyano-1-methyl-2-(phenylmethylene)hydrazinecarboximidothioate
  参考文献：
  名称：

  1,2,4-Triazole-3,5-diamine derivatives

  摘要：

  该发明涉及式(I)的化合物及其生理上可接受的盐、水合物和生物前体，其中R.sub.1和R.sub.2代表氢、脂肪族或环脂族基团，或者R.sub.1和R.sub.2与氮原子一起形成5到10元杂环环：Alk代表直链或支链烷基链；Q代表噻吩或苯环，其嵌入到分子的其余部分中；X代表--CH.sub.2 --，--O--或--S--，其中R.sub.6代表氢或甲基；n代表零、1或2；m代表2、3或4；R.sub.3代表氢、取代或未取代的脂肪族或芳基团；R.sub.4和R.sub.5，可以相同也可以不同，每个代表氢、取代或未取代的脂肪族、芳基，或者与氮原子一起形成杂环基团。

  公开号：

  US04318913A1

文献信息

• 1H-1,2,4-Triazole-3,5-diamine derivatives and use as selective histamine
  申请人：Glaxo Group Limited

  公开号：US04442110A1

  公开（公告）日：1984-04-10

  The invention relates to compounds of the general formula (I) ##STR1## and physiologically acceptable salts, hydrates and bioprecursors thereof, in which R.sub.1 and R.sub.2, which may be the same or different, each represent hydrogen, C.sub.1-10 alkyl, cycloalkyl, alkenyl, alkynyl, aralkyl, trifluoroalkyl or alkyl substituted by hydroxy, alkoxy, amino, alkylamino, dialkylamino or cycloalkyl, or R.sub.1 and R.sub.2 may together with the nitrogen atom to which they are attached form a 5 to 10 membered alicyclic heterocyclic ring which may be saturated or may contain at least one double bond, may be unsubstituted or may be substituted by one or more C.sub.1-3 alkyl groups or a hydroxy group and/or may contain another heteroatom; Alk represents a straight or branched alkylene chain of 1 to 6 carbon atoms; Q represents a furan or thiophen ring in which incorporation into the rest of the molecule is through bonds at the 2- and 5-positions, the furan ring optionally bearing a further substituent R.sub.7 adjacent to the group R.sub.1 R.sub.2 N-Alk-, or Q represents a benzene ring in which incorporation into the rest of the molecule is through bonds at the 1- and 3- or 1- and 4- positions; R.sub.7 represents halogen or C.sub.1-4 alkyl which may be substituted by hydroxy or C.sub.1-4 alkoxy; X represents --CH.sub.2 --, ##STR2## --O-- or --S-- where R.sub.6 represents hydrogen or methyl; n represents zero, 1 or 2; m represents 2, 3 or 4; R.sub.3 represents hydrogen, alkyl, alkenyl, aralkyl, hydroxyalkyl having at least two carbon atoms, alkoxyalkyl or aryl; and R.sub.4 and R.sub.5, which may be the same or different, each represent hydrogen, alkyl, alkyl substituted by hydroxy or C.sub.1-3 alkoxy, alkenyl, aralkyl or heteroaralkyl or R.sub.4 and R.sub.5 may together with the nitrogen atom to which they are attached form a 5 to 7-membered saturated heterocyclic ring which may contain another heteroatom, or the group ##STR3## or R.sub.4 and R.sub.5 taken together may represent the group .dbd.CR.sub.8 R.sub.9 where R.sub.8 represents aryl or heteroaryl and R.sub.9 represents hydrogen or alkyl. Preferably when X represents an oxygen atom or ##STR4## and n is zero, then Q only represents a benzene ring. The compounds of formula (I) show pharmacological activity as selective histamine H.sub.2 -antagonists.

  本发明涉及通式（I）的化合物，以及其生理上可接受的盐、水合物和生物前体，其中R.sub.1和R.sub.2，可以相同也可以不同，分别代表氢、C.sub.1-10烷基、环烷基、烯基、炔基、芳基烷基、三氟甲基或被羟基、烷氧基、氨基、烷基氨基、二烷基氨基或环烷基取代的烷基，或R.sub.1和R.sub.2可以与它们附着的氮原子一起形成一个5到10个成员的脂环杂环，该脂环杂环可以饱和或可以含有至少一个双键，可以是未取代的或可以被一个或多个C.sub.1-3烷基基团或羟基基团取代，也可以包含另一个杂原子；Alk代表1到6个碳原子的直链或支链烷基链；Q代表呋喃或噻吩环，其中结合到分子的其余部分是通过2-和5-位置的键，呋喃环可以选择地带有R.sub.1 R.sub.2 N-Alk-基团相邻的另一个取代基R.sub.7，或Q代表苯环，其中结合到分子的其余部分是通过1-和3-或1-和4-位置的键；R.sub.7代表卤素或C.sub.1-4烷基，可以被羟基或C.sub.1-4烷氧基取代；X代表--CH.sub.2 --、##STR2## --O--或--S--，其中R.sub.6代表氢或甲基；n代表零、1或2；m代表2、3或4；R.sub.3代表氢、烷基、烯基、芳基烷基、至少有两个碳原子的羟基烷基、烷氧基烷基或芳基；R.sub.4和R.sub.5，可以相同也可以不同，分别代表氢、烷基、被羟基或C.sub.1-3烷氧基取代的烷基、烯基、芳基烷基或杂芳基烷基，或R.sub.4和R.sub.5可以与它们附着的氮原子一起形成一个5到7个成员的饱和杂环，该杂环可以包含另一个杂原子，或者是基团##STR3##或R.sub.4和R.sub.5一起代表.dbd.CR.sub.8 R.sub.9基团，其中R.sub.8代表芳基或杂芳基，R.sub.9代表氢或烷基。当X代表氧原子或##STR4##且n为零时，最好Q仅代表苯环。公式（I）的化合物表现出选择性组胺H.sub.2-拮抗剂的药理活性。
• 3-[3-[1-piperidinylmethyl]phenoxy]propanamine
  申请人：Glaxo Group Limited

  公开号：US04764612A1

  公开（公告）日：1988-08-16

  The invention relates to compounds of the general formula (I) ##STR1## and physiologically acceptable salts, hydrates and bioprecursors thereof, in which the variables are as defined in the specification. The compounds of formula (I) show pharmacological activity as selective histamine H.sub.2 -antagonists. Also disclosed are intermediates in the preparation of the compounds of the formula (I).

  本发明涉及通式（I）的化合物及其生理上可接受的盐、水合物和生物前体，其中变量如规范中所定义。式（I）化合物显示出作为选择性组胺H.sub.2 -拮抗剂的药理活性。本发明还揭示了制备式（I）化合物的中间体。
• 1,4-disubstituted pyrazole derivatives, compositions and use
  申请人：BASF Aktiengesellschaft

  公开号：US04851410A1

  公开（公告）日：1989-07-25

  1,4-disubstituted pyrazole derivatives of the formula I ##STR1## where R.sup.1 and R.sup.2 independently of one another are each hydrogen, lower alkyl or benzyl, or R.sup.1 and R.sup.2, together with the nitrogen atom to which they are bonded, may be a pyrrolidino, piperidino or morpholino radical, n is an integer from 2 to 5 and Z is a radical of the formula ##STR2## or QNR.sup.1 R.sup.2 where R.sup.1 and R.sup.2 have the same meanings as above, Q is ##STR3## A is CHR.sup.3 or NR.sup.3 in which R.sup.3 is CN, NO.sub.2, SO.sub.2 -aryl or SO.sub.2 -lower alkyl and m may be 0 or 1, and their pharmaceutically tolerated salts, processes for their preparation, pharmaceutical compositions containing the compounds of formula I, the use of such compositions and an intermediate of the formula III ##STR4## where R.sup.1, R.sup.2 and n have the same meanings as above, in the preparation of the compounds of the formula I. The compounds are useful to block histamine H.sub.2.sup.- receptors.

  公式 I 的1,4-二取代吡唑衍生物：##STR1## 其中 R.sup.1 和 R.sup.2 独立地为氢、低级烷基或苄基，或 R.sup.1 和 R.sup.2 与它们所结合的氮原子一起可以是吡咯烷基、哌啶烷基或吗啉基，n 为2至5的整数，Z 是公式的基团##STR2## 或 QNR.sup.1 R.sup.2，其中 R.sup.1 和 R.sup.2 的含义与上述相同，Q 是##STR3## A 是 CHR.sup.3 或 NR.sup.3，其中 R.sup.3 是 CN、NO.sub.2、SO.sub.2-芳基或SO.sub.2-低级烷基，m 可以是0或1，以及其药物耐受性盐，制备它们的过程，含有公式I化合物的制药组合物，使用这种组合物和公式III的中间体##STR4##，其中 R.sup.1、R.sup.2 和 n 的含义与上述相同，在制备公式I的化合物时使用。这些化合物对于阻断组胺H.sub.2.sup.-受体是有用的。