(phenylacetyl)glutamic acid | 2752-35-4

• 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: (phenylacetyl)glutamic acid
• 英文别名: N-phenylacetyl-glutamic acid；N-Phenylacetyl-glutaminsaeure；N-Phenylacetyl-DL-glutaminsaeure；Phenacetyl-glutaminsaeure；Z-Glu；2-(2-Phenylacetamido)pentanedioic acid；2-[(2-phenylacetyl)amino]pentanedioic acid
• CAS: 2752-35-4
• 化学式: C₁₃H₁₅NO₅
• mdl: MFCD00437417
• 分子量: 265.266
• InChiKey: PTSRBZOZSRJCKX-UHFFFAOYSA-N

物化性质

• 熔点：
  117 °C
• 沸点：
  573.8±50.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.307
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存储条件：室温、干燥密封

反应信息

• 作为产物：
  描述：

  DL-谷氨酸 、 苯乙酰氯 生成 (phenylacetyl)glutamic acid
  参考文献：
  名称：

  Cornforth, Chemistry of Penicillin

  摘要：

  DOI：

文献信息

• [EN] POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE<br/>[FR] INHIBITEURS PUISSANTS DE L'ASPARTATE N-ACÉTYL-TRANSFÉRASE POUR LE TRAITEMENT DE LA MALADIE DE CANAVAN
  申请人：UNIV TOLEDO

  公开号：WO2017172476A1

  公开（公告）日：2017-10-05

  Compounds, compositions, and methods for the treatment of Canavan disease are described.

  描述了用于治疗卡纳万病的化合物、组合物和方法。
• Compositions for and uses thereof for treating viral disease with phenylacetate and derivatives thereof
  申请人：THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP1108428A2

  公开（公告）日：2001-06-20

  A pharmaceutical composition for inhibiting viral replication and spread comprises a pharmaceutically effective amount of a compound of formula I:         R1R2CH-COOH wherein R1 is selected from H, CH3, CH3-O-, C2H5 or C3H7; R2 is selected from aryl X is wherein X is independently selected from halogen or hydroxy, and n is 0 to 4; a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and mixtures thereof together with a pharmaceutically acceptable carrier.

  一种用于抑制病毒复制和传播的药物组合物包含药用有效量的式 I 化合物： R1R2CH-COOH 其中 R1 选自 H、CH3、 -O-、C2H5 或 C3H7； R2 选自芳基 X 是 其中 X 独立选自卤素或羟基，且 n 为 0 至 4；其立体异构体或其药学上可接受的盐，以及其与药学上可接受的载体的混合物。
• Compositions for and uses thereof for altering gene expression with phenylacetate and derivatives thereof
  申请人：THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP1108427A2

  公开（公告）日：2001-06-20

  A pharmaceutical composition for inhibiting altering gene expression, inducing differentiation in nonmalignant mammalian cells, and for the treatment of β-chain hemoglobinopathies, comprises a pharmaceutically effective amount of a compound of formula I:         R1R2CH-COOH wherein R1 is selected from H, CH3, CH3-O-, C2H5 or C3H7; R2 is selected from X is wherein X is independently selected from halogen or hydroxy, and n is 0 to 4; a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and mixtures thereof together with a pharmaceutically acceptable carrier.

  一种用于抑制改变基因表达、诱导非恶性哺乳动物细胞分化和治疗 β 链血红蛋白病的药物组合物，包含药学有效量的式 I 化合物： R1R2CH-COOH 其中 R1 选自 H、CH3、 -O-、C2H5 或 C3H7； R2 选自 X 是 其中 X 独立选自卤素或羟基，且 n 为 0 至 4；其立体异构体或其药学上可接受的盐，以及其与药学上可接受的载体的混合物。
• Antiviral composition comprising phenylacetic acid derivatives
  申请人：THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP1484059A2

  公开（公告）日：2004-12-08

  A pharmaceutical composition for inhibiting viral replication and spread comprises a pharmaceutically effective amount of a compound of formula I:         R1R2CH-COOH wherein    R1 is selected from H, CH3, CH3-O-, C2H5 or C3H7;    R2 is selected from aryl     (formulae of original claim 6) wherein X is independently selected from halogen or hydroxy, and n is 0 to 4; a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and mixtures thereof together with a pharmaceutically acceptable carrier.

  一种用于抑制病毒复制和传播的药物组合物包含药用有效量的式 I 化合物： R1R2CH-COOH 其中 R1 选自 H、CH3、 -O-、C2H5 或 C3H7； R2 选自芳基 (原权利要求 6 的式子) 其中 X 独立地选自卤素或羟基，且 n 为 0 至 4；其立体异构体或其药学上可接受的盐，以及其与药学上可接受的载体的混合物。
• Pharmaceutical composition for inhibiting altering gene expression and for inducing differentiation in non-malignant cells
  申请人：THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP1484058A2

  公开（公告）日：2004-12-08

  A pharmaceutical composition for inhibiting altering gene expression, inducing differentiation in nonmalignant mammalian cells, and for the treatment of β-chain hemoglobinopathies, comprises a pharmaceutically effective amount of a compound of formula I:         R1R2CH-COOH wherein R1 is selected from H, CH3, CH3-O-, C2H5 or C3H7; R2 is selected from wherein X is independently selected from halogen or hydroxy, and n is 0 to 4; a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and mixtures thereof together with a pharmaceutically acceptable carrier.

  一种用于抑制改变基因表达、诱导非恶性哺乳动物细胞分化和治疗 β 链血红蛋白病的药物组合物，包含药学有效量的式 I 化合物： R1R2CH-COOH 其中 R1 选自 H、CH3、 -O-、C2H5 或 C3H7； R2 选自 其中 X 独立选自卤素或羟基，且 n 为 0 至 4；其立体异构体或其药学上可接受的盐，以及其与药学上可接受的载体的混合物。