5-mercapto-1-methyltetrazole sodium salt hydrate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-mercapto-1-methyltetrazole sodium salt hydrate
• 英文别名: 1-methyl-1,2,3,4-tetrazolyl-5-thiol sodium salt hydrate；sodium 1-methyl-1H-tetrazole-5-thiolate hydrate；sodium;1-methyltetrazole-5-thiolate;hydrate
• 化学式: C₂H₃N₄S*H₂O*Na
• 分子量: 156.144
• InChiKey: CNCKRDLZSZDGDF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-mercapto-1-methyltetrazole sodium salt hydrate 、 一氯丙酮 以 乙醇 、 二氯甲烷 为溶剂， 生成 1-((1-甲基-1H-四唑-5-基)硫代)-2-丙酮
  参考文献：
  名称：

  Triazole compounds and their use as transglutaminase inhibitors

  摘要：

  本发明揭示了包括咪唑和咪唑盐在内的唑类化合物，以及它们作为转谷氨酰胺酶抑制剂的用途。

  公开号：

  US05047416A1

文献信息

• .beta.-lactam derivatives of the cephem sulphone type
  申请人：Farmitalia Carlo Erba S.R.L.

  公开号：US05348952A1

  公开（公告）日：1994-09-20

  Cephalosporins of the formula (I): ##STR1## wherein m is one or two; n is zero, one or two; A and B are organic residues; and R.sub.1 and R.sub.2 are halogen or hydrogen atoms or organic groups are endowed with elastase inhibitory activity. Two processes for their preparation starting from the corresponding 4-acyl cephem are also provided.

  式(I)的头孢菌素类：##STR1##其中m为1或2；n为0、1或2；A和B为有机残基；R1和R2为卤素或氢原子或有机基团，具有弹性酶抑制活性。还提供了从相应的4-酰基头孢烯制备它们的两种工艺。
• New route to 3-(substituted) methyl 1-oxa- and (1-thia)cephems from 3-exomethylene intermediates via sulfenyl chloride adducts
  作者：Tsutomu Aoki、Toshiro Konoike、Hikaru Itani、Teruji Tsuji、Mitsuru Yoshioka、Wataru Nagata

  DOI：10.1016/s0040-4020(01)92145-3

  日期：1983.1

  methyl adducts 11 and 15. Nucleophilic substitution of the adducts proceeded facilely to afford compounds 18–23, which were converted into Δ3-derivatives 26 and 27 by oxidative elimination. This new route, as illustrated by the sequence 6→7→8→3, has an essential advantage in using the saturated intermediates 7 and 8 with a stabler β-lactam ring which is compatible in nucleophilic substitution, alkaline

  将甲烷-和苯硫基氯加到3-exomethyl-1-oxacephams 10和14中，得到3β-亚磺酰基-3α-氯甲基加合物11和15。轻便进行纯化，得到化合物加合物的亲核取代18 - 23，将其转换成Δ 3通过氧化消除-衍生物26和27。如顺序6 → 7 → 8 → 3所示，这种新路线在使用饱和中间体7和8方面具有本质优势。具有更稳定的β-内酰胺环，该环在亲核取代，碱性酯水解和进一步操作中均兼容。这些合成特征已通过成功合成1-oxacefamandol 35和7β-（2-噻吩基乙酰基氨基）-3-（1-甲基-1 H-四唑-5-基）硫代甲基-3-酸得到了证明（45）
• Imidazole compounds and their use as transglutaminase inhibitors
  申请人：Merck & Co., Inc.

  公开号：US05021440A1

  公开（公告）日：1991-06-04

  Imidazole compounds including imidazoles and imidazolium salts, and their use as transglutaminase inhibitors are disclosed.

  咪唑化合物包括咪唑和咪唑盐，以及它们作为转麦芽胺酶抑制剂的用途被披露。
• Use of substituted 3-thioacryloyl compounds as antimicrobial agents
  申请人：Rohm and Haas Company

  公开号：US05302592A1

  公开（公告）日：1994-04-12

  Use as microbicides of thioacryloyl compounds of the formula ##STR1## Compounds and compositions are also disclosed.

  使用公式##STR1##的硫丙烯酰基化合物作为微生物杀菌剂。同时还披露了相关的化合物和配方。
• Bicyclic and tricyclic .beta.-lactams
  申请人：Hoffmann-La Roche Inc.

  公开号：US05510343A1

  公开（公告）日：1996-04-23

  There are described compounds of the formula ##STR1## in which R signifies lower alkoxycarbonyl, lower alkoxycarbonylamino, the acyl residue of an .alpha.- or .beta.-amino acid or a residue of the general formula Q--X--Y-- (a) wherein Q signifies a 3- to 6-membered ring which optionally contains nitrogen, sulphur and/or oxygen and which is optionally bonded with a fused ring, X signifies a direct bond or a linear "spacer" with up to 6 atoms consisting of carbon, nitrogen, oxygen and/or sulphur, of which up to 2 atoms can be nitrogen atoms and 1 atom can be oxygen or sulphur, and Y represents one of the groups --CO--, --CS--, --CONH-- and (where X contains neither sulphur nor carbonyl as a terminal component) --SO.sub.2 --; and in which R.sup.1 signifies hydrogen, halogen, carbamoyloxy, lower alkanoyloxy or a group of the formula --S--Het, wherein Het represents a 5- or 6-membered heteroaromatic group containing nitrogen, sulphur and/or oxygen, and R.sup.2 represents the sulpho group --SO.sub.3 H or R.sup.1 and R.sup.2 together signify a group of the formula ##STR2## wherein A represents hydrogen or a residue which is usable in the 3-position of cephalosporin antibiotics, and in which R.sup.3 represents hydrogen or R.sup.1 and R.sup.3 together represent a group of the formula .dbd.CH--R.sup.a (c) wherein R.sup.a signifies one of the groups --COR.sup.b (c.sup.1) --CH.sub.2 --OCOR.sup.c (c.sup.2) --CH.sub.2 --NR.sup.d R.sup.e (c.sup.3) --CH.sub.2 --S--Het (c.sup.4) in which R.sup.b represents lower alkoxy or amino, R.sup.c represents lower alkyl, phenyl or amino, R.sup.d and R.sup.e each independently represent hydrogen or lower alkyl or R.sup.d and R.sup.e together with the N atom to which they are attached represent a 5- or 6-membered N-heterocycle which optionally contains a further nitrogen, oxygen or sulphur atom and Het represents a 5- or 6-membered heteroaromatic group containing nitrogen, sulphur and/or oxygen, and pharmaceutically compatible salts of these compounds. The products have .beta.-lactamase inhibiting properties. They are useful in combination with .beta.-lactam antibiotics in the control of .beta.-lactamase forming pathogens.

  该文描述了以下式子的化合物：##STR1## 其中R表示低烷氧羰基，低烷氧羰基氨基，α-或β-氨基酸的酰基残基或一般式Q-X-Y-的残基(a)，其中Q表示含有氮、硫和/或氧的3-至6-环，可以与融合环相结合，X表示直接键或由碳、氮、氧和/或硫组成的长达6个原子的线性“间隔物”，其中最多有2个原子可以是氮原子，1个原子可以是氧或硫，Y代表--CO--、--CS--、--CONH--和（当X不含硫或羰基作为末端组分时）--SO.sub.2--中的一种基团；其中R.sup.1表示氢、卤素、氨基甲酸酯氧、低烷酰氧或公式--S--Het的基团，其中Het表示含有氮、硫和/或氧的5-或6-成员杂环芳基基团，R.sup.2表示磺酰基--SO.sub.3H或R.sup.1和R.sup.2在一起表示公式##STR2##其中A表示氢或可用于头孢菌素类抗生素的3位的残基，R.sup.3表示氢或R.sup.1和R.sup.3在一起表示公式.dbd.CH--R.sup.a（c），其中R.sup.a表示下列基团之一--COR.sup.b（c.sup.1）--CH.sub.2--OCOR.sup.c（c.sup.2）--CH.sub.2--NR.sup.dR.sup.e（c.sup.3）--CH.sub.2--S--Het（c.sup.4），其中R.sup.b表示低烷氧或氨基，R.sup.c表示低烷基、苯基或氨基，R.sup.d和R.sup.e各自独立地表示氢或低烷基，或R.sup.d和R.sup.e与它们连接的N原子一起表示含有进一步氮、氧或硫原子的5-或6-成员N杂环，Het表示含有氮、硫和/或氧的5-或6-成员杂环芳基基团，以及这些化合物的药学兼容盐。该产品具有β-内酰胺酶抑制作用。它们与β-内酰胺类抗生素结合使用可控制β-内酰胺酶形成的病原体。