1-[[[[1-(2-甲基-1-氧代丙氧基)乙氧基]甲酰]氨基]甲基]环己烷乙酸

• 常用名: 1-[[[[1-(2-甲基-1-氧代丙氧基)乙氧基]甲酰]氨基]甲基]环己烷乙酸
• 英文名: Gabapentin enacarbil
• CAS号: 478296-72-9
• 分子量: 329.389
• 密度: 1.1±0.1 g/cm3
• 沸点: 482.0±20.0 °C at 760 mmHg
• 分子式: C₁₆H₂₇NO₆
• 熔点: 65ºC
• 闪点: 245.3±21.8 °C

用途

Gabapentin enacarbil (XP-13512)是gabapentin的原药。

名称

• 中文名: 3,6-二氯-2-甲氧基苯甲酸钠
• 英文名: gabapentin enacarbil
• 中文别名: 1-[[[[1-(2-甲基-1-氧代丙氧基)乙氧基]甲酰]氨基]甲基]环己烷乙酸

生物活性

• 描述: Gabapentin enacarbil (XP-13512)是gabapentin的原药。
• 相关类别:
  信号通路 >> 跨膜转运 >> 钙通道
  研究领域 >> 神经疾病
• 参考文献:

  [1]. Cundy KC, et al. XP13512 [(+/-)-1-([(alpha-isobutanoyloxyethoxy)carbonyl] aminomethyl)-1-cyclohexane acetic acid], a novel gabapentin prodrug: I. Design, synthesis, enzymatic conversion to gabapentin, and transport by intestinal solute transporters. J Pha

  [2]. Cundy KC, et al. Clinical pharmacokinetics of XP13512, a novel transported prodrug of gabapentin. J Clin Pharmacol. 2008 Dec;48(12):1378-88.

物理化学性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 482.0±20.0 °C at 760 mmHg
• 熔点: 65ºC
• 分子式: C₁₆H₂₇NO₆
• 分子量: 329.389
• 闪点: 245.3±21.8 °C
• 精确质量: 329.183838
• PSA: 101.93000
• LogP: 3.07
• InChIKey: TZDUHAJSIBHXDL-UHFFFAOYSA-N
• SMILES: CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C
• 蒸汽压: 0.0±2.6 mmHg at 25°C
• 折射率: 1.481
• 储存条件: 2-8℃

靶点实验

查看更多实验

实验名称：Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL4513082

实验名称：Oral bioavailability in cynomolgus monkey assessed as gabapentin at 36 mg/kg 来源：ChEMBL 靶标：Macaca fascicularis External Id：CHEMBL3118799

实验名称：Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Cac... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL4303805

实验名称：Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry 来源：NCGC 靶标：N/A External Id：TRND-SARS-CoV-2-cytotox-48hr

实验名称：SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f... 来源：ChEMBL 靶标：Replicase polyprotein 1ab External Id：CHEMBL4495582

实验名称：Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry 来源：NCGC External Id：TRND-SARS-CoV-2-PP

实验名称：Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HR... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL4303810

实验名称：Enzymatic assay of human HDAC6 with commercial peptide substrate 来源：ChEMBL 靶标：Histone deacetylase 6 External Id：CHEMBL4808149

实验名称：Enzymatic assay of human HDAC6 with custom peptide substrate 来源：ChEMBL 靶标：Histone deacetylase 6 External Id：CHEMBL4808150

实验名称：Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV) 来源：NCGC External Id：APP-Toga-CHIKV-nsp2-p

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英文别名

• {[(1-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexaneacetic acid
• {1-[({[1-(Isobutyryloxy)ethoxy]carbonyl}amino)methyl]cyclohexyl}acetic acid
• Solzira
• UNII-75OCL1SPBQ
• UNII:75OCL1SPBQ
• Horizant
• 2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid
• ASP-8825
• Gabapentin enacarbil
• Xenoport