2-methyl-5-oxo-5,6,7,8-tetrahydroimidazo<1,5-c>pyrimidinium iodide | 51720-37-7

• 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: 2-methyl-5-oxo-5,6,7,8-tetrahydroimidazo<1,5-c>pyrimidinium iodide
• 英文别名: 2-Methyl-7,8-dihydroimidazo[1,5-c]pyrimidin-2-ium-5-olate;hydroiodide；2-methyl-7,8-dihydroimidazo[1,5-c]pyrimidin-2-ium-5-olate;hydroiodide
• CAS: 51720-37-7
• 化学式: C₇H₁₀N₃O*I
• 分子量: 279.08
• InChiKey: HUCBBSWDEUEPJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.57
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-5-oxo-5,6,7,8-tetrahydroimidazo<1,5-c>pyrimidinium iodide 在 盐酸 作用下， 以 乙腈 为溶剂， 反应 7.0h， 生成 3-methyl-5-carbothioamide-N-(1-methylethyl)-3,4,6,7-tetrahydro-5H-imidazo<4,5-c>pyridine
  参考文献：
  名称：

  Arcari; Bernardi; Cimaschi, Arzneimittel-Forschung/Drug Research, 1984, vol. 34, # 11, p. 1467 - 1471

  摘要：

  DOI：
• 作为产物：
  描述：

  组胺 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2-methyl-5-oxo-5,6,7,8-tetrahydroimidazo<1,5-c>pyrimidinium iodide
  参考文献：
  名称：

  异位异位六咪唑“包封”豆荚和面部分化的六齿配体

  摘要：

  描述了由组胺（3）合成面部分化的三咪唑三胺（10）和新颖的“杂”-二位六咪唑配体（11）。

  DOI：

  10.1039/c39870000672

文献信息

• 5-叔丁基-4-乙基-3-甲基-二氢-3H-咪唑并吡啶-(4H)-二甲酸基酯制法
  申请人：无锡合全药业有限公司

  公开号：CN111662287B

  公开（公告）日：2022-05-17

  本发明涉及一种5‑叔丁基‑4‑乙基‑3‑甲基‑二氢‑3H‑咪唑并吡啶‑(4H)‑二甲酸基酯制法，主要解决目前没有适合工业化合成方法的技术问题。本发明分三步，第一步，首先由化合物1在盐酸中反应得到化合物2，第二步，化合物2与乙醛酸乙酯甲苯溶液在乙腈中反应得到化合物3，第三步，化合物3与Boc酸酐和三乙胺在二氯甲烷中反应得到最终化合物4，反应式如下：。
• [EN] METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS<br/>[FR] COMPLEXES METALLIQUES DE CARBENES N-HETEROCYCLIQUES UTILES COMME PRODUITS RADIOPHARMACEUTIQUES ET ANTIBIOTIQUES
  申请人：UNIV AKRON

  公开号：WO2005023760A3

  公开（公告）日：2006-10-12
• 2-(1H-Imidazol-4-yl)ethanamine and 2-(1H-pyrazol-1-yl)ethanamine side chain variants of the IGF-1R inhibitor BMS-536924
  作者：Mark G. Saulnier、David B. Frennesson、Mark D. Wittman、Kurt Zimmermann、Upender Velaparthi、David R. Langley、Charles Struzynski、Xiaopeng Sang、Joan Carboni、Aixin Li、Ann Greer、Zheng Yang、Praveen Balimane、Marco Gottardis、Ricardo Attar、Dolatrai Vyas

  DOI：10.1016/j.bmcl.2008.01.049

  日期：2008.3

  A series of IGF-1R inhibitors is disclosed, wherein the (m-chlorophenyl) ethanol side chain of BMS-536924 (1) is replaced with a series of 2-(1H-imidazol-4-yl)ethanamine and 2-(1H-pyrazol-1-yl)ethanamine side chains. Some analogs show improved IGF-1R potency and oral exposure. Analogs from both series, 16a and 17f, show in vivo activity comparable to 1 in our constitutively activated IGF-1R Sal tumor model. This may be the due to the improved protein binding in human and mouse serum for imidazole 16a and the excellent oral exposure of pyrazole 17f. (C) 2008 Elsevier Ltd. All rights reserved.
• Zinc dication inclusion complexes of endodentate tripodands as carbonic anhydrase-inspired artificial esterases
  作者：Rick Jairam、Pierre G. Potvin

  DOI：10.1021/jo00041a016

  日期：1992.7

  Facile syntheses are reported for three endo-tridentate tris-imidazole podands 1-3, two of which also bear basic amino residues, designed to reproduce the active site of carbonic anhydrase. The architecture was tested for the ability to bind Zn2+ in a ''biomimetic'' fashion and for the esterase activity of the Zn2+ complexes. Complexation of Zn2+ and Co2+ was studied by pH-titrimetry and NMR and UV-vis spectrometry and was found to be moderate. Besides species of LM2+ and +HLM2+ stoichiometries, the formation of LZnOH+ species was facilitated by inclusion, with associated pK(a) values ranging from 7.6 to 8.1. Cooperativity was found in the protonation of 3ZnOH+, however, wherein both the amino vertex and the hydroxozinc moieties are protonated in a single stage with an overall pK(a) 7.95 and no 3Zn2+ (or +H3ZnOH+) was detected. There was some evidence for the formation of 2Zn2+ as its tautomer, +H2ZnOH+. The catalysis of hydrolysis of p-nitrophenyl acetate was studied in buffered H2O between pH 7.35 and 8.15. Even though complexation was incomplete and gave rise to two or three complexes in each case, the residual first-order catalytic rate constants owing to these complexes were obtained after discounting the catalyses owing to other species present in solution. The catalyses were attributed to 1Zn2+, 2Zn2+, and 3ZnOH+ (but not 1ZnOH+ or 2ZnOH+) with second-order rate constants 0.079, 0.098, and 0.139 M-1 s-1, respectively, significantly higher than with several previous artificial esterases.
• Potvin, Pierre G.; Gau, Roberto; Unrau, Cathleen M., Canadian Journal of Chemistry, 1989, vol. 67, p. 1363 - 1366
  作者：Potvin, Pierre G.、Gau, Roberto、Unrau, Cathleen M.、Gehl, Nikolaus K.

  DOI：——

  日期：——