基本情報
- CAS
38321-02-7- 標準SMILES
COc1ccc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC- InChIKey
SGTNSNPWRIOYBX-HHHXNRCGSA-N- 分子式
- C27H38N2O4
- 平均分子量
- 454.6 g/mol
- 単同位体質量
- 454.2831577
概要
Dexverapamil is a 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has R configuration. It competitively inhibits the multidrug resistance efflux pump P-glycoprotein (MDR-1, EC 3.6.3.44), thereby potentially increasing the effectiveness of a wide range of antineoplastic drugs which are inactivated by MDR-1 mechanisms. Dexverapamil exhibits lower calcium antagonistic activity and toxicity than racemic verapamil. It has a role as an EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor. It is a conjugate base of a dexverapamil(1+). It is an enantiomer of a (S)-verapamil.
名称と識別子
- 優先名称
- Dexverapamil
- IUPAC
- (2R)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
- 現地名
- (R)-5-[(3,4-ジメトキシフェネチル)メチルアミノ]-2-(3,4-ジメトキシフェニル)-2-イソプロピルバレロニトリル
- 英語名
- (+)-3-(3,4-dimethoxyphenyl)-6-[(5,6-dimethoxyphenethyl)methylamino]hexane-3-carbonitrile
- 分子式
- C27H38N2O4
- 分子量
- 454.61
名称と別名
Dexverapamil38321-02-7(R)-verapamilDexverapamiloDexverapamilum(+)-verapamil(R)-(+)-verapamild-verapamil(+)-(R)-verapamilVerapamil, (r)-QR5PYD126V(2R)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
名称をさらに表示
R-ベラパミル(R)-5-[(3,4-ジメトキシフェネチル)メチルアミノ]-2-(3,4-ジメトキシフェニル)-2-イソプロピルバレロニトリルデキスベラパミル[R,(+)]-2-(3,4-ジメトキシフェニル)-2-イソプロピル-5-(N-メチル-3,4-ジメトキシフェネチルアミノ)バレロニトリル(+)-ベラパミル(R)-α-[3-[[2-(3,4-ジメトキシフェニル)エチル]メチルアミノ]プロピル]-3,4-ジメトキシ-α-(1-メチルエチル)ベンゼンアセトニトリル(R)-ベラパミル(R)-(+)-ベラパミルデクスベラパミル(αR)-α-[3-[[2-(3,4-ジメトキシフェニル)エチル](メチル)アミノ]プロピル]-3,4-ジメトキシ-α-(1-メチルエチル)ベンゼンアセトニトリル(2R)-2-(3,4-ジメトキシフェニル)-5-{[2-(3,4-ジメトキシフェニル)エチル](メチル)アミノ}-2-(プロパン-2-イル)ペンタンニトリルDexverapamiDexverapamil Hydrochloride[R,(+)]-2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(N-methyl-3,4-dimethoxyphenethylamino)valeronitrile
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 64 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 13
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 606
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Human DrugsBreast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Calcium Channel Blockers; Antiarrhythmics; Vasodilator Agents
物理化学的性質
- 融点
- 129 · 129-131°C
- 沸点
- 586.1 · 586.1±50.0 °C(Predicted)
- 比重(密度)
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.97 · 8.97±0.50(Predicted)
化学的性質
化学的特性Off-White Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
化学と産業
薬理情報
Metabolism/MetabolitesDexverapamil has known human metabolites that include (2R)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-yl)pentanenitrile, (R)-D-617, arverapamil, and 2-(3,4-dimethoxyphenyl)acetaldehyde.
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Drugs used to cause dilation of the blood vessels.
応用分野
使用Both isomers inhibit the p-glycoprotein efflux pump in multidrug resistant tumor cells
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上海陶术生物科技股份有限公司
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