4-(isopropylamino)-5-methylisoxazole | 403793-46-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(isopropylamino)-5-methylisoxazole
• 英文别名: N-isopropyl-5-methylisoxazol-4-amine；5-methyl-N-propan-2-yl-1,2-oxazol-4-amine
• CAS: 403793-46-4
• 化学式: C₇H₁₂N₂O
• mdl: MFCD18820423
• 分子量: 140.185
• InChiKey: SRTACPRMYNTZHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  38.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(isopropylamino)-5-methylisoxazole 、 丙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到4-[N-(propionyl)-N-(isopropyl)amino]-5-methylisoxazole
  参考文献：
  名称：

  [EN] IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION
  [FR] IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES UTILISES EN TANT QU'AGENTS INHIBITEURS DE LA PROLIFERATION CELLULAIRE

  摘要：

  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。

  公开号：

  WO2005075461A1
• 作为产物：
  描述：

  5-甲基异噁唑-4-胺盐酸盐 、 丙酮 在 sodium acetate 、 sodium cyanoborohydride 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 以59%的产率得到4-(isopropylamino)-5-methylisoxazole
  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

• 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。
• WO2007/40436
  申请人：——

  公开号：——

  公开（公告）日：——
• Imidazole pyrimidine amides as potent, orally bioavailable cyclin-dependent kinase inhibitors
  作者：Clifford D. Jones、David M. Andrews、Andrew J. Barker、Kevin Blades、Kate F. Byth、M. Raymond V. Finlay、Catherine Geh、Clive P. Green、Marie Johannsen、Mike Walker、Hazel M. Weir

  DOI：10.1016/j.bmcl.2008.10.075

  日期：2008.12

  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.
• 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
• IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION
  申请人：AstraZeneca AB

  公开号：EP1748999A1

  公开（公告）日：2007-02-07