2-amino-2-methylpentanoic acid | 26287-61-6

• 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: 2-amino-2-methylpentanoic acid
• 英文别名: 2-azaniumyl-2-methylpentanoate
• CAS: 26287-61-6
• 化学式: C₆H₁₃NO₂
• mdl: MFCD02662613
• 分子量: 131.175
• InChiKey: HBJGLYBWNNQMOW-UHFFFAOYSA-N

物化性质

• 沸点：
  225.8±23.0 °C(Predicted)
• 密度：
  1.041±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  2-amino-2-methylpentanoic acid 、 氯乙酰氯 在 sodium hydroxide 作用下， 生成 2-(2-chloro-acetylamino)-2-methyl-valeric acid
  参考文献：
  名称：

  The Hydrolytic Action of Acylase I on N-Acylamino Acids¹

  摘要：

  DOI：

  10.1021/ja01100a042
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 barium dihydroxide 、 水 作用下， 生成 2-amino-2-methylpentanoic acid
  参考文献：
  名称：

  Elks; Hems; Ryman, Journal of the Chemical Society, 1948, p. 1388

  摘要：

  DOI：

文献信息

• Nucleic acid binding dyes with improved safety
  申请人：Biotium, Inc.

  公开号：US10011570B2

  公开（公告）日：2018-07-03

  The invention provides compounds, including fluorescent nucleic acid dyes, and methods for use including nucleic acid detection. Further provided are kits, instruments and systems comprising compounds of the invention or adapted for use with compounds of the invention or other nucleic acid dyes.

  这项发明提供了化合物，包括荧光核酸染料，以及用于核酸检测的方法。此外，还提供了包括该发明化合物或适用于与该发明化合物或其他核酸染料一起使用的试剂盒、仪器和系统。
• NUCLEIC ACID BINDING DYES WITH IMPROVED SAFETY
  申请人：Biotium, Inc.

  公开号：US20150185182A1

  公开（公告）日：2015-07-02

  The invention provides compounds, including fluorescent nucleic acid dyes, and methods for use including nucleic acid detection. Further provided are kits, instruments and systems comprising compounds of the invention or adapted for use with compounds of the invention or other nucleic acid dyes.

  该发明提供了化合物，包括荧光核酸染料，以及用于核酸检测的方法。此外，还提供了包括该发明化合物或适用于与该发明化合物或其他核酸染料一起使用的试剂盒、仪器和系统。
• Inhibition of radical reactions for an improved potassium<i>tert</i>-butoxide-promoted¹¹C-methylation strategy for the synthesis of<i>α</i>-¹¹C-methyl amino acids
  作者：Chie Suzuki、Koichi Kato、Atsushi B. Tsuji、Ming-Rong Zhang、Yasushi Arano、Tsuneo Saga

  DOI：10.1002/jlcr.3259

  日期：2015.3

  α-11C-Methyl amino acids are useful tools for biological imaging studies. However, a robust procedure for the labeling of amino acids has not yet been established. In this study, the 11C-methylation of Schiff-base-activated α-amino acid derivatives has been optimized for the radiosynthesis of various α-11C-methyl amino acids. The benzophenone imine analog of methyl 2-amino butyrate was 11C-methylated with [11C]methyl iodide following its initial deprotonation with potassium tert-butoxide (KOtBu). The use of an alternative base such as tetrabutylammonium fluoride, triethylamine, and 1,8-diazabicyclo[5.4.0]undec-7-ene did not result in the 11C-methylated product. Furthermore, the KOtBu-promoted 11C-methylation of the Schiff-base-activated amino acid analog was enhanced by the addition of 1,2,4,5-tetramethoxybenzene or 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and inhibited by the addition of 1,10-phenanthroline. These results suggest that inhibition of radical generation induced by KOtBu improves the α-11C-methylation of the Schiff-base-activated amino acids. The addition of a mixture of KOtBu and TEMPO to a solution of Schiff-base-activated amino acid ester and [11C]methyl iodide provided optimal results, and the tert-butyl ester and benzophenone imine groups could be readily hydrolyzed to give the desired α-11C-methyl amino acids with a high radiochemical conversion. This strategy could be readily applied to the synthesis of other α-11C-methyl amino acids.

  α-11C-甲基氨基酸是生物成像研究中的有用工具。然而，目前尚未建立起一种稳健的氨基酸标记程序。在本研究中，已对Schiff碱激活的α-氨基酸衍生物的11C-甲基化进行了优化，以实现各种α-11C-甲基氨基酸的放射合成。通过用氢氧化钾叔丁基（KOtBu）对其进行初步去质子化后，使用[11C]甲基碘化物对孟糖基2-氨基丁酸的苯基砜亚胺类似物进行了11C-甲基化。使用四丁基氟铵、三乙胺和1,8-二氮-双环[5.4.0]十一烯等替代性碱未能得到11C-甲基化产物。此外，KOtBu促进的Schiff碱激活氨基酸类似物的11C-甲基化在添加1,2,4,5-四甲氧基苯或2,2,6,6-四甲基哌啶-1-氧基（TEMPO）后得到了增强，而在添加1,10-菲啰啉后则被抑制。这些结果表明，抑制KOtBu诱导的自由基生成有助于提高Schiff碱激活氨基酸的α-11C-甲基化。将KOtBu和TEMPO的混合物加入Schiff碱活化的氨基酸酯与[11C]甲基碘化物的溶液中可获得最佳结果，叔丁基酯和苯基砜亚胺基团可被容易水解以生成所需的α-11C-甲基氨基酸，且具备高的放射化学转化率。这一策略可以方便地应用于其他α-11C-甲基氨基酸的合成。
• Protease inhibitors
  申请人：——

  公开号：US20040044201A1

  公开（公告）日：2004-03-04

  The present invention provides C 1-6 alkyl-4-amino-azepan-3-one protease inhibitors and pharmaceutically acceptable salts, hydrates and solvates thereof which inhibit proteases, including cathepsin K, pharmaceutical compositions of such compounds, novel intermediates of such compounds, and methods for treating diseases of excessive bone loss or cartilage or matrix degradation, including osteoporosis; gingival disease including gingivitis and periodontitis; arthritis, more specifically, osteoarthritis and rheumatoid arthritis; Paget's disease; hypercalcemia of malignancy; and metabolic bone disease; and parasitic diseases, including malaria, by administering to a patient in need thereof one or more compounds of the present invention.

  本发明提供了C1-6烷基-4-氨基-氮杂七环-3-酮蛋白酶抑制剂及其药用可接受的盐、水合物和溶剂化物，其能抑制蛋白酶，包括卡特普辛K，该类化合物的药用组合物，该类化合物的新中间体，以及用于治疗骨量过度流失或软骨或基质降解疾病的方法，包括骨质疏松症；牙龈疾病，包括牙龈炎和牙周炎；关节炎，更具体地说是骨关节炎和类风湿关节炎；帕盖特病；恶性高钙血症；代谢性骨病；以及寄生虫病，包括疟疾，通过向患有该需要的患者施用本发明的一个或多个化合物。
• [EN] COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS<br/>[FR] COMPOSÉS ÉTANT DES AGENTS DE MODULATION DE S1P ET/OU DES AGENTS DE MODULATION D'ATX
  申请人：BIOGEN IDEC INC

  公开号：WO2014025709A1

  公开（公告）日：2014-02-13

  Compounds of formula (I) can modulate the activity of one or more SIP receptors and/or the activity of autotaxin (ATX).

  式(I)的化合物可以调节一个或多个SIP受体的活性和/或自体稅脂酶(ATX)的活性。