3-dimethylamino-1-(3-isopropyl-2-methyl-3H-imidazol-4-yl)-propenone | 403792-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-dimethylamino-1-(3-isopropyl-2-methyl-3H-imidazol-4-yl)-propenone
• 英文别名: 5-(3-dimethylaminoprop-2-en-1-oyl)-1-(isopropyl)-2-methylimidazole；5-(3-Dimethylaminoprop-2-en-1-oyl)-1-isopropyl-2-methylimidazole；3-(dimethylamino)-1-(2-methyl-3-propan-2-ylimidazol-4-yl)prop-2-en-1-one
• CAS: 403792-85-8
• 化学式: C₁₂H₁₉N₃O
• 分子量: 221.302
• InChiKey: FIFORGYAAQMQQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-dimethylamino-1-(3-isopropyl-2-methyl-3H-imidazol-4-yl)-propenone 在 Selectfluor 、 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 生成 3-dimethylamino-2-fluoro-1-(3-isopropyl-2-methyl-3H-imidazol-4-yl)-propenone
  参考文献：
  名称：

  IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS

  摘要：

  具有组蛋白去乙酰化酶（HDAC）和/或 Cyclin 依赖性激酶（CDK）抑制活性的一般式（I）化合物，包括该化合物的药物组合物，以及使用该化合物治疗疾病的有效方法。

  公开号：

  US20100009990A1
• 作为产物：
  描述：

  5-乙酰基-1-异丙基-2-甲基咪唑 、 N,N-二甲基甲酰胺二甲基缩醛 反应 4.0h， 生成 3-dimethylamino-1-(3-isopropyl-2-methyl-3H-imidazol-4-yl)-propenone
  参考文献：
  名称：

  IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS

  摘要：

  具有组蛋白去乙酰化酶（HDAC）和/或 Cyclin 依赖性激酶（CDK）抑制活性的一般式（I）化合物，包括该化合物的药物组合物，以及使用该化合物治疗疾病的有效方法。

  公开号：

  US20100009990A1

文献信息

• Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease
  申请人：Andersson Lars

  公开号：US20080214560A1

  公开（公告）日：2008-09-04

  Pyrimidine derivatives of formula I, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 are as defined in the specification, as a base or a pharmaceutically acceptable salt thereof in the manufacture of pharmaceutical compositions and in the treatment or prophylaxis of Alzheimer's Disease.

  根据规范，作为制备药物组合物和治疗或预防阿尔茨海默病，I型嘧啶衍生物，其中R1、R2、R3、R4、R5、R6、R7、R8和R9按规范定义，作为碱或药用可接受的盐。
• [EN] DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY<br/>[FR] DERIVES DE 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE A ACTIVITE INHIBITRICE CDK
  申请人：ASTRAZENECA AB

  公开号：WO2003076436A1

  公开（公告）日：2003-09-18

  Compounds of the formula (I): wherein R1, R2, R3, R4, R5 and p 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.

  公式（I）的化合物：其中R1、R2、R3、R4、R5和p的定义如下，并且描述了药学上可接受的盐和体内可水解酯。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）效果的药物。
• [EN] IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION<br/>[FR] IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES UTILISES EN TANT QU'AGENTS INHIBITEURS DE LA PROLIFERATION CELLULAIRE
  申请人：ASTRAZENECA AB

  公开号：WO2005075461A1

  公开（公告）日：2005-08-18

  Compounds of the formula (I), wherein variable groups 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.

  化合物的公式（I），其中变量基团的定义如内部，并描述了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）效果的药物。
• Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity
  申请人：Newcombe John Nicholas

  公开号：US20050131000A1

  公开（公告）日：2005-06-16

  Compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 and p 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.

  本文描述了化学式（I）的化合物，其中R1、R2、R3、R4、R5和p的定义如本文中所述，并描述了其药物学上可接受的盐和体内可水解的酯。同时还描述了它们的制备过程以及它们作为药物的用途，特别是作为产生对温血动物（如人）的细胞周期抑制（抗细胞增殖）效应的药物。
• Chemical compounds
  申请人：Andrews Michael David

  公开号：US20070161615A1

  公开（公告）日：2007-07-12

  Compounds of the formula (I), wherein variable groups 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.

  本文描述了公式（I）的化合物，其中变量基团的定义如内部所述，并描述了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，特别是作为产生细胞周期抑制（抗细胞增殖）效果的药物，用于温血动物，如人类。