creatine benzyl ester hydrochloride | 404576-05-2

• 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: creatine benzyl ester hydrochloride
• 英文别名: Benzyl 2-[carbamimidoyl(methyl)amino]acetate;hydrochloride；benzyl 2-[carbamimidoyl(methyl)amino]acetate;hydrochloride
• CAS: 404576-05-2
• 化学式: C₁₁H₁₅N₃O₂*ClH
• 分子量: 257.72
• InChiKey: PLAPVYJACXGXFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.98
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  79.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯甲醇 、 肌酸 在 chlorophosphoric acid 作用下， 反应 2.0h， 以85%的产率得到creatine benzyl ester hydrochloride
  参考文献：
  名称：

  Creatine phosphate prodrugs, compositions and uses thereof

  摘要：

  本文揭示了肌酸磷酸膜透性前药、包含肌酸磷酸膜透性前药的药物组合物，以及治疗缺血、心力衰竭和神经退行性疾病等疾病的方法，包括给予肌酸磷酸膜透性前药或其药物组合物。

  公开号：

  US20070281909A1

文献信息

• Creatine ester anti-inflammatory compounds and formulations
  申请人：——

  公开号：US20030212130A1

  公开（公告）日：2003-11-13

  The present invention provides a creatine ester anti-inflammatory compound which may be received by animals and then metabolized into a biologically active form of creatine. The biologically active creatine inhibits the production of chemical mediators, released during an inflammatory response, which are important components in the inflammatory response and the inflammation and pain resulting from physical or chemical trauma to cells and tissue.

  本发明提供了一种肌酸酯类抗炎化合物，动物可以吸收该化合物并代谢成活性肌酸形式。该生物活性肌酸抑制了在炎症反应期间释放的化学介质的产生，这些化学介质是炎症反应和由细胞和组织的物理或化学创伤引起的炎症和疼痛的重要组成部分。
• Creatine ester pronutrient compounds and formulations
  申请人：Board of Regents of the University of Nebraska

  公开号：EP1688139A1

  公开（公告）日：2006-08-09

  The present invention describes a method for providing creatine to an animal which includes receiving a creatine ester by the animal. The creatine ester is suitable for being modified by the animal to form creatine.

  本发明描述了一种向动物提供肌酸的方法，其中包括动物接收肌酸酯。肌酸酯适合由动物改性形成肌酸。
• CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS
  申请人：Board of Regents ofthe University of Nebraska

  公开号：EP1324760A1

  公开（公告）日：2003-07-09
• EP1324760A4
  申请人：——

  公开号：EP1324760A4

  公开（公告）日：2005-08-10
• CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS
  申请人：Miller Donald W.

  公开号：US20090137669A1

  公开（公告）日：2009-05-28

  The present invention provides a creatine ester anti-inflammatory compound which may be received by animals and then metabolized into a biologically active form of creatine. The biologically active creatine inhibits the production of chemical mediators, released during an inflammatory response, which are important components in the inflammatory response and the inflammation and pain resulting from physical or chemical trauma to cells and tissue.