N-(1-methyl-2-oxo-butyl)-acetamide | 58120-99-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(1-methyl-2-oxo-butyl)-acetamide
• 英文别名: N-(1-Methyl-2-oxo-butyl)-acetamid；2-Acetylamino-pentan-3-on；N-(3-oxopentan-2-yl)acetamide
• CAS: 58120-99-3
• 化学式: C₇H₁₃NO₂
• 分子量: 143.186
• InChiKey: HJVMRLXOYGGMIH-UHFFFAOYSA-N

物化性质

• 沸点：
  132 °C(Press: 10 Torr)
• 密度：
  1.012 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(1-methyl-2-oxo-butyl)-acetamide 在 硫酸 作用下， 以90%的产率得到5-ethyl-2,4-dimethyloxazole
  参考文献：
  名称：

  Optimization of a series of 2,4-diaminopyridines as neuropeptide Y Y1 receptor antagonists with reduced hERG activity

  摘要：

  The synthesis and evaluation of a series of 2,4-diaminopyridine-based neuropeptide Y Y1 ( NPY Y1) receptor antagonists are described. Compound 1 was previously reported by our laboratory to be a potent and selective Y1 antagonist; however, 1 was also found to have potent hERG inhibitory activity. The main focus of this communication is structure-activity relationship development aimed at eliminating the hERG activity of 1. This resulted in the identification of compound 3d as a potent and selective NPY Y1 antagonist with reduced hERG liability. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.069
• 作为产物：
  描述：

  (2E)-2-(phenylhydrazinylidene)pentan-3-one 以71%的产率得到
  参考文献：
  名称：

  SHVEDOV V. I.; MEZENTSEVA M. V.; GRINEV A. N., XIMIYA GETEROTSIKL. SOEDIN. , 1975, HO 9, 1217-1224

  摘要：

  DOI：

文献信息

• 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS
  申请人：Aicher Thomas D.

  公开号：US20090156603A1

  公开（公告）日：2009-06-18

  Provided are compounds of formula I that are useful in the treatment and/or prevention of diseases mediated by deficient levels of glucokinase activity, such as diabetes meilitus. Also provided are methods of treating or preventing diseases and disorders characterized by underactivity of glucokinase or which can be treated by activating glucokinase.

  提供了化学式I的化合物，这些化合物在治疗和/或预防由胰岛素活性不足引起的疾病中非常有用，例如糖尿病。还提供了治疗或预防由胰岛素活性不足或可以通过激活胰岛素来治疗的疾病和疾患的方法。
• NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF
  申请人：Cardioxyl Pharmaceuticals Inc.

  公开号：EP3067352A2

  公开（公告）日：2016-09-14

  The invention relates to nitroso derivatives including carboxylic acid and phosphoric acid esters of hydroxy nitroso compounds that donate nitroxyl (HNO) under physiological conditions. The compounds and compositions of the invention are useful in treating and/or preventing the onset and/or development of diseases or conditions that are responsive to nitroxyl therapy, including heart failure, ischemia/reperfusion injury and cancer.

  本发明涉及亚硝基衍生物，包括羟基亚硝基化合物的羧酸酯和磷酸酯，它们在生理条件下捐献亚硝基（HNO）。本发明的化合物和组合物有助于治疗和/或预防对亚硝基疗法有反应的疾病或病症的发生和/或发展，包括心力衰竭、缺血/再灌注损伤和癌症。
• Synthese und Verhalten aliphatisch substituierter Imadazoline-?3
  作者：F. Asinger、M. Thiel、R. Sowada

  DOI：10.1007/bf00901692

  日期：——
• Synthesis of substituted 2-amino-3-cyanopyrroles
  作者：V. I. Shvedov、M. V. Mezentseva、A. N. Grinev

  DOI：10.1007/bf00471296

  日期：1975.9
• US4042646A
  申请人：——

  公开号：US4042646A

  公开（公告）日：1977-08-16