4-thiomethylpyrimidine | 119979-37-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-thiomethylpyrimidine
• 英文别名: 4-Pyrimidinemethanethiol；pyrimidin-4-ylmethanethiol
• CAS: 119979-37-2
• 化学式: C₅H₆N₂S
• 分子量: 126.182
• InChiKey: YZEMUDOZDCYPLU-UHFFFAOYSA-N

物化性质

• 沸点：
  241.0±15.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  26.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-thiomethylpyrimidine 在 碘 作用下， 以 氯仿 为溶剂， 生成 bis(4-methylpyrimidine)disulphide
  参考文献：
  名称：

  N-Heterocyclic compounds as radioprotectors II. Derivatives of pyridine and pyrimidine containing thiol precursors

  摘要：

  DOI：

  10.1016/0223-5234(88)90001-3
• 作为产物：
  描述：

  4-甲基嘧啶 在 盐酸 、 sodium hydroxide 、 N-氯代丁二酰亚胺 、 过氧化氢苯甲酰 作用下， 以 甲醇 、 四氯化碳 、 水 为溶剂， 反应 23.0h， 生成 4-thiomethylpyrimidine
  参考文献：
  名称：

  N-Heterocyclic compounds as radioprotectors II. Derivatives of pyridine and pyrimidine containing thiol precursors

  摘要：

  DOI：

  10.1016/0223-5234(88)90001-3

文献信息

• Antiinflammatory and immunoregulatory pyrimidines, their method of use
  申请人：Pfizer Inc.

  公开号：US04246263A1

  公开（公告）日：1981-01-20

  A series of 4-(2-hydroxyethylthiomethyl)pyridines and related compounds, and their pharmaceutically acceptable acid addition salts, having antiinflammatory and immunoregulatory activity are disclosed. Preferred compounds include 4-(2-hydroxyethylthiomethyl)pyridine itself, as well as 4-(2-hydroxyphenylthiomethyl)pyridine, 4-(2-hydroxy-1-propylthiomethyl)pyridine, 4-(3-hydroxy-2-butylthiomethyl)pyridine, 4-(2-hydroxyethylthiomethyl)pyrimidine, the acetate esters corresponding to the above compounds, and 4-(2,3-dihydroxy-1-propylthiomethyl)pyridine.

  本文披露了一系列4-(2-羟乙硫甲基)吡啶及相关化合物，以及它们的药学上可接受的酸盐，具有抗炎和免疫调节活性。首选化合物包括4-(2-羟乙硫甲基)吡啶本身，以及4-(2-羟基苯硫甲基)吡啶，4-(2-羟基-1-丙基硫甲基)吡啶，4-(3-羟基-2-丁基硫甲基)吡啶，4-(2-羟乙硫甲基)嘧啶，对应于上述化合物的醋酸酯，以及4-(2,3-二羟基-1-丙基硫甲基)吡啶。
• Orally active cephalosporins. Part 3: synthesis, structure–activity relationships and oral absorption of novel C-3 heteroarylmethylthio cephalosporins
  作者：Hirofumi Yamamoto、Takeshi Terasawa、Ayako Nakamura、Kohji Kawabata、Hisashi Takasugi、Hirokazu Tanaka、Satoru Matsumoto、Yoshimi Matsumoto、Shuichi Tawara

  DOI：10.1016/s0968-0896(00)00266-2

  日期：2001.2

  A series of 7 beta-[(Z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetamido]-3-(heteroarylmethylthio)cephalosporins was designed, synthesized and evaluated for antibacterial activity and oral absorption in rats. Antibacterial activity was markedly influenced by the structure of the heteroaromatic ring moiety. Oral absorption was influenced by the heteroaromatic ring moiety as well as by the arrangement of heteroatoms. Among these compounds, FK041 (2o). having a 4-pyrazolylmethylthio moiety, showed potent antibacterial activity against both Gram-positive and Gram-negative bacteria including Haemophilus influenzae. Further, it showed higher oral absorption than CFDN. (C) 2001 Elsevier Science Ltd. All rights reserved.
• BARNES, JOHN H.;FATOME, MARC;JONES, CHRISTOPHER E. L.;MURRAY, STEPHEN G., EUR. J. MED. CHEM., 23,(1988) N 3, 211-216
  作者：BARNES, JOHN H.、FATOME, MARC、JONES, CHRISTOPHER E. L.、MURRAY, STEPHEN G.

  DOI：——

  日期：——
• N-Heterocyclic compounds as radioprotectors II. Derivatives of pyridine and pyrimidine containing thiol precursors
  作者：John H Barnes、Marc Fatome、Christopher E.L Jones、Stephen G Murray

  DOI：10.1016/0223-5234(88)90001-3

  日期：1988.5