1-(2-carbamoylethyl)-4-methylimidazole | 440106-52-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-carbamoylethyl)-4-methylimidazole
• 英文别名: 3-(4-Methylimidazol-1-yl)propanamide
• CAS: 440106-52-5
• 化学式: C₇H₁₁N₃O
• 分子量: 153.184
• InChiKey: OPSVPIHWQCOFQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  60.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-carbamoylethyl)-4-methylimidazole 、 nickel dibromide 以 甲醇 为溶剂， 以45%的产率得到NiBr2(1-(2-carbamoylethyl)-4-methylimidazole)4
  参考文献：
  名称：

  NICKEL(II) COMPLEXES OF IMIDAZOLE-DERIVED LIGANDS WITH AN AMIDE GROUP: SOME COMPOUNDS WITH COMPLEX MAGNETIC BEHAVIOUR

  摘要：

  NiL4X2.xH(2)O compounds [L = 1-(2-carbamoylethyl)-4-methylimidazole C4MIm), 1-(2-carbamoylethyl)benzimidazole (CBIm) or 1-(2-carbamoylethyl)-5,6-dimethylbenzimidazole (CMMBIm)] have been prepared and characterised and the effect of different axial ligands, X, on the magnetic properties of the complexes has been examined. Diamagnetic and paramagnetic complexes with CMMBIm have been obtained. With C4MIm and CBIm, only paramagnetic compounds could be isolated. The CBIm ligand afforded complexes with unusual magnetic behaviour: NiCl2(CBIm)(4) is believed to exhibit a spin-singlet ground state with a low-lying spin triplet state and NiBr2(CBIm)(4) shows magnetic properties indicating structural changes over the temperature range studied. Structures of the compounds have been proposed based on spectroscopic and magnetic data and on powder X-ray diffraction patterns.

  DOI：

  10.1081/sim-120003210

文献信息

• Isoxazole Derivatives and Use Thereof
  申请人：Cho Jeong Woo

  公开号：US20090131336A1

  公开（公告）日：2009-05-21

  Disclosed herein are isoxazole derivaties and uses thereof. Serving as agonists of Wnt, the isoxazole derivatives activate Wnt/β-catenin signaling and thus can be used in the treatment and prevention of diseases related to the signal transduction. Also, pharmaceutically acceptable salts of the isoxazole derivatives are disclosed.

  本文披露了异噁唑衍生物及其用途。作为Wnt的激动剂，异噁唑衍生物激活Wnt/β-连环蛋白信号传导，因此可用于治疗和预防与信号传导相关的疾病。此外，还披露了异噁唑衍生物的药用盐。
• Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives
  申请人：Hwang Sun Gwan

  公开号：US20110028506A1

  公开（公告）日：2011-02-03

  There is provided a pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives. The pharmaceutical composition includes a therapeutic effective amount of isoxazole derivatives represented by Formula 1 or pharmaceutically available salts thereof. The pharmaceutical composition may be useful to prevent and treat vascular restenosis since the pharmaceutical composition shows an anti-restenosis activity and accelerates the re-endothelization.

  提供了一种预防和治疗再狭窄的药物组合物，包括异噁唑衍生物。该药物组合物包括一定量的异噁唑衍生物（由公式1表示）或其药学上可用的盐。该药物组合物可用于预防和治疗血管再狭窄，因为该药物组合物具有抗再狭窄活性并加速内皮再生。
• ISOXAZOLE DERIVATIVES AND USE THEREOF
  申请人：SK Biopharmaceuticals Co., Ltd.

  公开号：EP1971600B1

  公开（公告）日：2013-08-21
• PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES
  申请人：SK Holdings Co., Ltd.

  公开号：EP2170876B1

  公开（公告）日：2011-12-28
• US8518978B2
  申请人：——

  公开号：US8518978B2

  公开（公告）日：2013-08-27