1,4-Dihydro-4,4-dimethyl-1-(4-methyl-2-thiazolyl) pyridine | 115933-10-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4-Dihydro-4,4-dimethyl-1-(4-methyl-2-thiazolyl) pyridine
• 英文别名: 1,4-Dihydro-4,4-dimethyl-1-(4-methyl-2-thiazolyl)-pyridine；2-(4,4-dimethylpyridin-1-yl)-4-methyl-1,3-thiazole
• CAS: 115933-10-3
• 化学式: C₁₁H₁₄N₂S
• 分子量: 206.312
• InChiKey: DKCMLBCYIWZQSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  302.7±52.0 °C(predicted)
• 密度：
  1.111±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基-4-甲基噻唑 、 3,3-dimethylglutaraldehyde 在 对甲苯磺酸一水合物 作用下， 以 苯 为溶剂， 生成 1,4-Dihydro-4,4-dimethyl-1-(4-methyl-2-thiazolyl) pyridine
  参考文献：
  名称：

  Dihydropyridine compounds having 1,4,4-trisubstitution useful as

  摘要：

  二氢吡啶化合物具有以下式(I)的1,4,4-三取代物：其中R是--COR^3中的一个，R^3是苯基或苄基等基团；R^4是杂环；--(CH_2)_nNR^5R^6，其中R^5和R^6是烷基或结合以定义环；或--(CH_2)_nCOOR^7，其中R^7是烷基或苄基。R^1和R^2是烷基、苯基或取代苯基。这些化合物对于治疗哺乳动物的高血压，例如人类，是有用的。

  公开号：

  US04742068A1

文献信息

• Dihydropyridine compounds having 1,4,4-trisubstitution useful as
  申请人：McNeilab, Inc.

  公开号：US04742068A1

  公开（公告）日：1988-05-03

  Dihydropyridine compounds having 1,4,4-trisubstitution of the following formula (I): ##STR1## wherein R is one of --COR.sup.3, R.sup.3 being a group such as phenyl or benzyl; R.sup.4 where R.sup.4 is a heterocycle; --(CH.sub.2).sub.n NR.sup.5 R.sup.6, with R.sup.5 and R.sup.6 being alkyl or joined to define a ring; or --(CH.sub.2).sub.n COOR.sup.7, with R.sup.7 being alkyl or benzyl. R.sup.1 and R.sup.2 are alkyl, phenyl or substituted phenyl. The compounds are useful for the treatment of hypertension in mammals, e.g., in humans.

  二氢吡啶化合物具有以下式(I)的1,4,4-三取代物：其中R是--COR^3中的一个，R^3是苯基或苄基等基团；R^4是杂环；--(CH_2)_nNR^5R^6，其中R^5和R^6是烷基或结合以定义环；或--(CH_2)_nCOOR^7，其中R^7是烷基或苄基。R^1和R^2是烷基、苯基或取代苯基。这些化合物对于治疗哺乳动物的高血压，例如人类，是有用的。
• US4742068A
  申请人：——

  公开号：US4742068A

  公开（公告）日：1988-05-03
• Antihypertensive dihydropyridines with 1,4,4-trisubstitution
  作者：Michael J. Kukla、Henry J. Breslin、Alan Gill

  DOI：10.1021/jm00163a037

  日期：1990.1

  Dihydropyridines with 1,4,4-trisubstitution were synthesized and tested for antihypertensive activity in a spontaneously hypertensive rat model. This substitution pattern on the dihydropyridine nucleus differs markedly from that found most active in the structure-activity relationship established for nifedipine-like compounds. However, some were found to significantly lower blood pressure at testing doses (30 mg/kg, ip and 100 mg/kg, po) for up to 24 h. Methyl 1,4-dihydro-4,4-dimethyl-1-pyridinepropanoate (2-1), for example, lowered blood pressure 71 mmHg at 30 mg/kg, ip and the effect endured for greater than 24 h. Unlike prototypical dihydropyridines such as nifedipine, these compounds did not seem to have any effect on calcium channels.