N-acetyl-glutamine | 5817-09-4

• 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-acetyl-glutamine
• 英文别名: N-acetylglutamine；acetylglutamine；N²-acetyl-glutamine；N²-Acetyl-glutamin；N-acetylglutamin；N²-Acetylglutamin；2-acetamido-5-amino-5-oxopentanoic acid
• CAS: 5817-09-4
• 化学式: C₇H₁₂N₂O₄
• mdl: MFCD01882990
• 分子量: 188.183
• InChiKey: KSMRODHGGIIXDV-UHFFFAOYSA-N

物化性质

• 熔点：
  189-190 °C
• 沸点：
  604.9±50.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)
• 碰撞截面：
  144.2 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-甲基氨基乙基)吡啶 、 N-acetyl-glutamine 在 N,N'-二环己基碳二亚胺 作用下， 以50%的产率得到
  参考文献：
  名称：

  Passarotti; Valenti, Bollettino Chimico Farmaceutico, 1999, vol. 138, # 8, p. 397 - 400

  摘要：

  DOI：
• 作为产物：
  描述：

  N-乙酰-DL-谷氨酸 在 氨 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 为溶剂， 生成 N-acetyl-glutamine
  参考文献：
  名称：

  N-乙酰基-DL-谷氨酸5-二甲基氨基乙基酯的合成。

  摘要：

  DOI：

  10.1002/jps.2600580729

文献信息

• Novel retinoid derivatives and methods for producing said compounds and anti-cancer pharmaceutical composition comprising said compounds
  申请人：——

  公开号：US20030171339A1

  公开（公告）日：2003-09-11

  The present invention relates to a novel retinoid derivative compound represented by the formula I: 1 wherein X, R 1 , R 2 and R 3 are as defined herein or pharmaceutically acceptalbe salts thereof. Also, the present invention relates to processes for producing the compound of the formula I and to an anti-cancer composition comprising the compound of the formula I. The compound of the formula I according to the present invention exerts high anti-cancer effects while not causing undesirable side effects.

  本发明涉及一种由公式I表示的新型维甲酸衍生物化合物，其中X、R1、R2和R3如本文所定义，或其药用可接受盐。此外，本发明涉及制备公式I化合物的方法，以及包括公式I化合物的抗癌组合物。根据本发明的公式I化合物具有高抗癌效果，同时不会引起不良副作用。
• Hepatitis C virus polymerase inhibitors
  申请人：Blaney Jeffrey Mark

  公开号：US20080200512A1

  公开（公告）日：2008-08-21

  The invention provides a compound of formula: and methods for making and using the same, where R 1 and R 2 are independently hydrogen, C 1-6 alkyl or C 1-6 haloalkyl; R 3 is hydrogen, halogen, C 1-6 alkyl or C 1-6 alkoxy; R 4 is hydrogen or halogen; and R 5 is a mono- or di-amino acid moiety, a succinic acid moiety, a urea moiety, or a derivative thereof. The invention also provides pharmaceutical compositions comprising a compound of formula I, and methods for making and using the same.

  这项发明提供了一个化合物的公式：以及制备和使用该化合物的方法，其中R1和R2分别是氢、C1-6烷基或C1-6卤代烷基；R3是氢、卤素、C1-6烷基或C1-6烷氧基；R4是氢或卤素；R5是单氨基酸或双氨基酸基团、琥珀酸基团、尿素基团或其衍生物。该发明还提供了包含化合物I的药物组合物，以及制备和使用该药物组合物的方法。
• Oral pharmaceutical compositions containing cyclodextrins as taste masking agent
  申请人：——

  公开号：US20040115258A1

  公开（公告）日：2004-06-17

  The application discloses oral pharmaceutical compositions which are tasted in the mouth during administration. Fast-dissolving tablets, chewable tablets and effervescent dispersions are exemplified. To mask the taste of unpleasant-tasting active ingredients, it has been found that blending with cyclodextrin without the conventional complex formation is effective. Consequently more economical modes of manufacture such as simple granulation and dry blending can be used.

  该申请揭示了口服制剂，其在给药过程中在口腔中被品尝。快速溶解片剂、可咀嚼片剂和泡腾分散剂是示例。为了掩盖令人不愉快的活性成分的味道，发现与β-环糊精混合而无需传统的复合形成是有效的。因此，可以使用更经济的制造方式，如简单的制粒和干混合。
• Process of producing ala-gln dipeptide
  申请人：Zhao Yufen

  公开号：US20050233977A1

  公开（公告）日：2005-10-20

  A synthesis method of alanyl-glutamine includes the steps of: The N-terminal protected alanine reacts with triphenylphosphine and hexachloroethane in organic solvent to form active ester, the active ester reacts with glutamine in a solution mixture containing organic solvent and aqueous solution of inorganic base, the resultant mixture is acidified with inorganic acid, and then the N-terminal protecting group is removed. In this method, the raw materials are cheap, the synthesis technique is simple, no disposals of separation and purification are needed, the product is easy to be separated and purified, the toxicities of all the reagents used in the course of production are minimal, it is advantageous to environment protection.

  一种丙氨酰谷氨酰胺的合成方法包括以下步骤：N-末端保护的丙氨酸在有机溶剂中与三苯基膦和六氯乙烷反应，形成活性酯，活性酯与谷氨酰胺在含有有机溶剂和无机碱水溶液的混合溶液中反应，得到的混合物用无机酸酸化，然后去除N-末端保护基。在这种方法中，原材料廉价，合成技术简单，无需分离和纯化处理，产品易于分离和纯化，生产过程中使用的所有试剂的毒性极小，有利于环境保护。
• [EN] ISOTOPES OF ALPHA KETOGLUTARATE AND RELATED COMPOUNDS AND THEIR USE IN HYPERPOLARIZED IMAGING<br/>[FR] ISOTOPES D'ALPHA-CÉTOGLUTARATE ET COMPOSÉS ASSOCIÉS ET LEUR UTILISATION DANS L'IMAGERIE HYPERPOLARISÉE
  申请人：US HEALTH

  公开号：WO2021146572A1

  公开（公告）日：2021-07-22

  A compound of the Formula I or a pharmaceutically acceptable salt thereof, wherein R1, Ca, Cb, Cd, and n are the same as described in the specification. Disclosed is a method of diagnosing or monitoring a patient suffering from cancer, the method comprising: administering a pharmaceutical composition comprising an effective amount of an active agent, wherein the active agent is the compound of Formula I, a pharmaceutically acceptable salt of any of the foregoing thereof, or a combination thereof, together with a pharmaceutically acceptable carrier to the patient; and diagnosing or monitoring the patient by hyperpolarized 13C-MRI. Also disclosed is a method of synthesizing 1-13C- 5-12C-diacid.

  将Formula I的化合物或其药用可接受盐，其中R1、Ca、Cb、Cd和n与说明书中描述的相同。公开了一种诊断或监测患有癌症的患者的方法，该方法包括：向患者施用包含有效量活性剂的药物组合物，其中活性剂为Formula I的化合物、上述任何药用可接受盐或二者的组合物，并与药用可接受载体一起向患者施用；通过超极化13C-MRI来诊断或监测患者。还公开了一种合成1-13C-5-12C-二酸的方法。

表征谱图