计算溶液所需的质量、体积或浓度。
为什么选择此级别
，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
-80℃储存。特低温运输 。请查阅批次 COA 获取详细规格。
质量文档
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文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 0 篇同行评审文献引用。
概述
Information
Retigabine 2HCl Retigabine 2HCl (D-23129) is a novel anticonvulsant with activity in a broad range of seizure models. The mechanism of action involves opening of neuronal K(V)7.2-7.5 (formerly KCNQ2-5) voltage-activated K(+) channels.
Targets
KCNQ3/5 (Cell-based assay); KCNQ2/Q3 channels (Cell-based assay); KCQN4 (Cell-based assay) 1.4 μM(EC50); 1.6 μM(EC50); 5.2 μM(EC50)
In vitro
Retigabine is a novel antiepileptic drug whose mechanism of action involves potassium channel opening activity in neuronal cells. Retigabine can markedly enhance KCNQ2/Q3 currents. In addition, retigabine also enhances slow channel deactivation. Retigabine has been shown to increase the synthesis of GABA in rat hippocampal slices and to enhance GABA-induced chloride currents in cultured rat cortical neurons. Retigabine has been shown to induce membrane hyperpolarization in neurones in rat hippocampal-entorhinal cortex slices and to exert potassium channel opening activity in neuronal cells. Retigabine enhances a linopirdine-sensitive current in differentiated PC12 cells. concentrations of RTG/EZG ≥10 μM are required to cause significant augmentation of the GABAA receptor response. The potency of RTG/EZG differs somewhat depending on the GABAA receptor subunit combination, with the following rank order: α1β3γ2=α1β2γ2 >α3β2γ2=α2β2γ2>α5β2γ2=α1β2(N265S)γ2=α1β1γ2. RTG/EZG exhibits only weak inhibitory effects at voltage-gated Nav and Cav channel currents at predominantly supratherapeutic concentrations. RTG/EZG does not interact significantly with glutamate receptors.
In vivo
Retigabine enhances γ-aminobutyric acid (GABA)-ergic transmission in the central nervous system. Retigabine is rapidly absorbed and distributed with an oral bioavailability of 60% and a high volume of distribution of approximately 6.2 L/kg. Tolerability is good in humans when titrated up to its therapeutic dose range (600-1200 mg/day). Plasma protein binding of the drug is approximately 80%. The relatively high systemic bioavailability after oral administration suggests that retigabine is resistant to first-pass metabolism, a finding confirmed in multiple species. Retigabine is metabolized exclusively via phase II hepatic glucuronidation and acetylation. Gender differences in exposure have been noted, with female subjects exhibiting higher plasma concentrations of the drug after oral administration than male subjects. Excretion of retigabine appears to be predominantly renal. Depending on the behavioral endpoints analyzed, it appears that retigabine has a relatively poor therapeutic index (ratio between TD50 obtained in rotarod and ED50 obtained in maximal electroshock where maximal tonic extension of the hindlimbs was used as endpoint) in both mice (TD50/ED50 = 2.2) and rats (TD50/ED50 = 1.9) after i.p. administration. However, after p.o. administration in rats retigabine shows a therapeutic index of 28.8, which compares favorably with that reported for other antiepileptics, such as carbamazepine.
Cell Research(from reference)
Cell lines：HEK293 cells
Concentrations：0.1, 0.3, 1 or 3\u2009μM
Incubation Time：4 h
规格
英文别名
BR164335 | E98674 | HY-15471A | Benzoic acid,5-dimethoxy-, methyl ester | Retigabine hydrochloride | D23129 | N-(2-amino-4-[fluorobenzylamino]-phenyl) carbamic acid (2HCl) | Retigabine 2HCl | UNII-WV9W9019AP | SCHEMBL155918 | CCG-268364 | BCP07747 | HE-02
规格或纯度
10mM in DMSO
英文名称
Retigabine 2HCl
生化机理
瑞替加滨 2HCl （D-23129）是一种新型抗惊厥药，在多种癫痫发作模型中均有活性。其作用机制涉及打开神经元 K(V)7.2-7.5（原 KCNQ2-5）电压激活的 K(+)通道。
储存条件
-80℃储存
运输条件
特低温运输
名称和识别符
PubChem SID
分子类型
小分子
IUPAC Name
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;dihydrochloride
INCHI
1S/C16H18FN3O2.2ClH/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11;;/h3-9,19H,2,10,18H2,1H3,(H,20,21);2*1H
InChi Key
WSGFOWNASITQHJ-UHFFFAOYSA-N
Smiles
CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N.Cl.Cl
Isomeric SMILES
CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N.Cl.Cl
PubChem CID
分子量
376.25
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 苯类化合物 |
| 类（Class) | 苯及其取代衍生物 |
| 亚类（Subclass） | 苯甲胺 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 苯苄明 |
| 其他上位类（Alternative Parents） | 苯基氨基甲酸酯 苯烷基胺 苄胺 苯胺和取代苯胺 仲烷基芳胺 氟苯类 芳基氟化物 氨基甲酸酯 伯胺 有机氟化物 有机氧化物 盐酸盐 碳氢化合物衍生物 羰基化合物 |
| 分子骨架（Molecular Framework) | 芳香族同单环化合物 |
| 取代基（Substituents） | 氨基酸 - 苯胺或取代苯胺 - 芳烷基胺 - 芳香族同单环化合物 - 芳基氟化物 - 芳基卤化物 - 苄胺 - 脲酸酯 - 羰基 - 氟萘 - 卤苯 - 烃衍生物 - 氟氯烃 - 有机硝基化合物 - 有机氧化物 - 有机氧化合物 - 有机氟化物 - 有机卤化物 - 有机氮化合物 - 有机氧化合物 - 苯基乙醛 - 苯基苯胺 - 苯基氨基甲酸酯 - 初级胺 - 二级脂肪族/芳香族胺 - 醛基 |
| 描述（Description） | 该化合物属于苯基苯胺类有机化合物。这类芳香化合物由N-连接于苯胺的苄基构成。 |
| 外部描述符（External Descriptors） | 暂无 |
三维结构
交互式化学结构模型
化学和物理性质
分子量
376.200 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
5
氢键受体数Hydrogen Bond Acceptor Count
5
可旋转键计数Rotatable Bond Count
6
精确质量Exact Mass
375.092 Da
单同位素质量Monoisotopic Mass
375.092 Da
拓扑极表面积Topological Polar Surface Area
76.400 Ų
重原子数Heavy Atom Count
24
形式电荷Formal Charge
0
复杂度Complexity
348.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
3
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溶液计算器
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