基本情報
- CAS
100427-26-7- 標準SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1- InChIKey
ZDXUKAKRHYTAKV-UHFFFAOYSA-N- 分子式
- C36H41N3O6
- 平均分子量
- 611.7 g/mol
- 単同位体質量
- 611.29953604
概要
Lercanidipine is a diarylmethane.
名称と識別子
- 優先名称
- Lercanidipine
- IUPAC
- 5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 現地名
- レルカニジピン
- 英語名
- Lercanidipine
- 分子式
- C36H41N3O6
- 分子量
- 611.73
名称と別名
Lercanidipine100427-26-7LercanilV7XTJ4R0BHLercanidipino3-(1-((3,3-diphenylpropyl)(methyl)amino)-2-methylpropan-2-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate3-{1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateDTXSID2048327LerdipREC-15-2375lercanidipinum3-[1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl] 5-Methyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
名称をさらに表示
2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロ-3,5-ピリジンジカルボン酸5-メチル3-[2-[(3,3-ジフェニルプロピル)メチルアミノ]-1,1-ジメチルエチル]レルカニジピンマスニジピン1,4-ジヒドロ-2,6-ジメチル-4-(3-ニトロフェニル)-3,5-ピリジンジカルボン酸3-[2-[(3,3-ジフェニルプロピル)メチルアミノ]-1,1-ジメチルエチル]5-メチル2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロ-3,5-ピリジンジカルボン酸3-メチル5-[1,1-ジメチル-2-[メチル(3,3-ジフェニルプロピル)アミノ]エチル]3-{1-[(3,3-ジフェニルプロピル)(メチル)アミノ]-2-メチルプロパン-2-イル} 5-メチル 2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボキシラート
物性
構造計算による物性
- XLogP
- 6.9
- 極性表面積
- 114 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 13
- 重原子数
- 45
- 形式電荷
- 0
- 複雑度
- 1,090
実験および物理化学的性質
Drugs
Pharmaceuticals -> Used in Switzerland
Pharmaceuticals
Pharmaceuticals -> Antihypertensives
LogP6.4
Solubility1.56e-04 g/L
Physical DescriptionSolid
Collision Cross Section249.8 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
物理化学的性質
- 融点
- 118 · 118-120°C
- 沸点
- 712.5 · 712.5±60.0 °C(Predicted)
- 比重(密度)
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- Soluble in DMSO
- 外見
- Powder
- 酸解離定数(Pka)
- 8.66 · 8.66±0.50(Predicted)
- 色
- Light yellow to yellow
- CAS データベース
- 100427 · 100427-26-7(CAS DataBase Reference)
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。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Lercanidipine
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
安全データ
- 注意喚起語
- 危険
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302
化学と産業
薬理情報
ATC Code
C08CA13
C - Cardiovascular system
QC - Cardiovascular system
Pharmacodynamics
Lercanidipine, a dihydropyridine calcium-channel blocker, is used alone or with an angiotensin-converting enzyme inhibitor, to treat hypertension, chronic stable angina pectoris, and Prinzmetal's variant angina. Lercanidipine is similar to other peripheral vasodilators. Lercanidipine inhibits the influx of extra cellular calcium across the myocardial and vascular smooth muscle cell membranes possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum. The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.
Mechanism of Action
By deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, Lercanidipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Cellular LocationsMembrane
関連反応
2 件
化合物ノート
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