L-valine succinate | 1195757-70-0

• 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: L-valine succinate
• 英文别名: L-valinium succinate；(2S)-2-amino-3-methylbutanoic acid;butanedioic acid
• CAS: 1195757-70-0
• 化学式: C₄H₆O₄*C₅H₁₁NO₂
• 分子量: 235.237
• InChiKey: ILLDYDWDMHAKTD-WCCKRBBISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  138
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  L-缬氨酸 、 丁二酸 生成 L-valine succinate
  参考文献：
  名称：

  Crystal growth and comparative studies of XRD, spectral studies on new NLO crystals: l-Valine and l-valinium succinate

  摘要：

  Nonlinear optical single crystals Of L-Valine and L-valinium succinate were grown by slow evaporation solution growth method using water as the solvent. Purity of crystals was increased by the method of recrystallization. The grown crystals were analyzed by the single crystals X-ray diffraction pattern which proved that LVS belongs to orthorhombic crystals system. The presence of functional groups and modes of vibrations were identified by FT-IR spectroscopy. The chemical structure of crystals was established by FT-NMR technique. The transmission range of grown crystals was identified by UV-vis-NIR. The transmission region of LVS was more effective than LV which could be used for NLO applications. The nonlinear optical property of the grown crystals was confirmed by second harmonic generation test which shows the suitability of NLO applications. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.08.023

文献信息

• Electronic absorption and vibrational spectra and nonlinear optical properties of l-valinium succinate
  作者：C. Jesintha John、T.S. Xavier、G. Lukose、I. Hubert Joe

  DOI：10.1016/j.saa.2011.09.013

  日期：2012.1

  FT-Raman and FTIR techniques have been applied to investigate the potential nonlinear optical material L-valinium succinate. A detailed interpretation of the vibrational spectra was carried out with the aid of potential energy distribution analysis. Density functional theory is applied to explore the nonlinear optical properties of the molecule. Good consistency is found between the calculated results and the experimental data for IR and Raman spectra. The natural bond orbital analysis confirms the occurrence of strong intramolecular N-H center dot center dot center dot O hydrogen bonding. (C) 2011 Elsevier B.V. All rights reserved.
• NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF
  申请人：Shire LLC

  公开号：EP2413937A1

  公开（公告）日：2012-02-08
• MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF
  申请人：Shire LLC

  公开号：EP2445866A2

  公开（公告）日：2012-05-02
• GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF
  申请人：Shire LLC

  公开号：EP2456434A1

  公开（公告）日：2012-05-30
• [EN] NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF<br/>[FR] NOUVEAUX PROMÉDICAMENTS D'OPIOÏDES À BASE D'ACIDE AMINÉ ET DE PEPTIDE LIÉS À L'ACIDE DICARBOXYLIQUE ET LEURS UTILISATIONS
  申请人：SHIRE LLC

  公开号：WO2010112942A1

  公开（公告）日：2010-10-07

  The present invention concerns dicarboxylic acid linked amino acid and peptide prodrugs of opioid analgesics and pharmaceutical compositions containing such prodrugs. Methods for providing pain relief, decreasing the adverse GI side effects of the opioid analgesic and increasing the bioavailability of the opioid analgesic with the aforementioned prodrugs are also provided. In one embodiment, prodrugs having the amino acid side chains of valine, leucine, isoleucine and glycine; and mono–, di–and tripeptides thereof are provided.