1-乙基-2-甲基-5-乙酰基咪唑 | 403793-00-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-乙基-2-甲基-5-乙酰基咪唑
• 英文名称: 1-Ethyl-2-methyl-5-acetylimidazole
• 英文别名: 5-acetyl-1-ethyl-2-methylimidazole；1-(3-ethyl-2-methylimidazol-4-yl)ethanone
• CAS: 403793-00-0
• 化学式: C₈H₁₂N₂O
• mdl: MFCD08668242
• 分子量: 152.196
• InChiKey: FMHKREROEFVVOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-乙基-2-甲基-5-乙酰基咪唑 、 N,N-二甲基甲酰胺二甲基缩醛 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-(3-dimethylaminoprop-2-en-1-oyl)-1-ethyl-2-methylimidazole
  参考文献：
  名称：

  Imidazole pyrimidine amides as potent, orally bioavailable cyclin-dependent kinase inhibitors

  摘要：

  The development of a novel series of imidazole pyrimidine amides as cyclin-dependent kinase (CDK) inhibitors is described. The series was found to have much improved CDK2 inhibition and potent in vitro anti-proliferative effects against cancer cell lines. Control of overall lipophilicity was important to achieve good in vitro potency along with acceptable physiochemical properties and margins against inhibition of both CYP isoforms and the hERG potassium ion channel. A compound with an attractive overall balance of properties was pro. led in vivo and possessed suitable physiochemical and pharmacokinetic profiles for oral dosing. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.075
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-乙基-2-甲基-5-乙酰基咪唑
  参考文献：
  名称：

  Imidazole pyrimidine amides as potent, orally bioavailable cyclin-dependent kinase inhibitors

  摘要：

  The development of a novel series of imidazole pyrimidine amides as cyclin-dependent kinase (CDK) inhibitors is described. The series was found to have much improved CDK2 inhibition and potent in vitro anti-proliferative effects against cancer cell lines. Control of overall lipophilicity was important to achieve good in vitro potency along with acceptable physiochemical properties and margins against inhibition of both CYP isoforms and the hERG potassium ion channel. A compound with an attractive overall balance of properties was pro. led in vivo and possessed suitable physiochemical and pharmacokinetic profiles for oral dosing. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.075

文献信息

• Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration
  申请人：——

  公开号：US20040014776A1

  公开（公告）日：2004-01-22

  Compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , p, q, and n are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  该公式化合物（I）：其中R1、R2、R3、R4、R5、R6、p、q和n的定义如下，并描述了其药用盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）作用的药物。
• Imidazolo-5-yl-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation
  申请人：Breault Anne Gloria

  公开号：US20060004033A1

  公开（公告）日：2006-01-05

  Compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , p, q, and n are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  式(I)的化合物：其中R1、R2、R3、R4、R5、R6、p、q和n的定义如内部所述，并且所述化合物的药学上可接受的盐和体内可水解的酯被描述。还描述了它们的制备过程以及它们作为药物的用途，特别是作为在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）效应的药物。
• Imidazolo-5-YL-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation
  申请人：Breault Gloria Anne

  公开号：US06969714B2

  公开（公告）日：2005-11-29

  Compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , p, q, and n are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  该式(I)的化合物：其中R1、R2、R3、R4、R5、R6、p、q和n的定义如内部所述，并描述了其药学上可接受的盐和体内可水解的酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为制造细胞周期抑制（抗细胞增殖）效应的药物，用于温血动物，例如人类。
• IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION
  申请人：AstraZeneca AB

  公开号：EP1351958B1

  公开（公告）日：2004-06-16
• US6969714B2
  申请人：——

  公开号：US6969714B2

  公开（公告）日：2005-11-29