Nicardipine Hydrochloride (HCID 41114)

概要

Nicardipine hydrochloride is a dihydropyridine. It has a role as a geroprotector.

名称と識別子

優先名称: Nicardipine Hydrochloride
IUPAC: 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
現地名: ニカルジピン塩酸塩
英語名: Nicardipine hydrochloride
分子式: C26H30ClN3O6
分子量: 515.99

名称と別名

NICARDIPINE HYDROCHLORIDE54527-84-3Nicardipine HClLoxenPerdipineNicodelPerdipinaYC-93VasonaseCardene SRBarizinCardepine

名称をさらに表示

ニカルジピン塩酸塩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-[メチル(ベンジル)アミノ]エチル]5-メチル·塩酸塩イセジピールアポジピンニコデールニカルピンペルジピンコポネントニコデール-LAツルセピン塩酸ニカルジピンラジストミンニスタジールアポジピン-LニカルジレートカルトランニカジルスLアプロバンドローマープレアルピンNaratriptan HCldafildaganlincilVasonas

DacarelLecibraLecibralLescodilNerdipinaNicapressNicardalNicarpin

データベース識別子

CAS: 54527-84-3、69441-18-5
PubChem CID: 41114
DTXSID: DTXSID9046992
ChEMBL: CHEMBL1200326、CHEMBL3199626
ChEBI: CHEBI:7551
UNII: K5BC5011K3
EC Number: 259-198-4、274-007-4

物性

構造計算による物性

極性表面積: 114 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 10
重原子数: 36
形式電荷: 0
複雑度: 856

実験および物理化学的性質

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

Collision Cross Section211.9 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点: 176 · 176-1780C
貯蔵温度: 2 · 2-8°C
溶解性: 1 mg/mL · DMSO: ~1 mg/mL
外見: 粉
色: 黄色
Merck: 14 · 14,6495
安定性: -20 °C · 蒸留水またはエタノール溶液中、-20°C で最大 1 か月間保存できます。
InChI: 1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H
InChIKey: AIKVCUNQWYTVTO-UHFFFAOYSA-N
SMILES: C1(C(C(=O)OC)=C(NC(C)=C1C(=O)OCCN(C)CC1C=CC=CC=1)C)C1C=CC=C([N+]([O-])=O)C=1.Cl
CAS データベース: 54527 · 54527-84-3(CAS DataBase Reference)

化学的性質

化学的特性Yellow Solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Danger

H301 (89.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Other Safety InformationIMAP assessments - 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]ethyl ester, monohydrochloride: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 3 (89.8%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Nicardipine hydrochloride

Ambiguous-DILI-concern

3

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

安全データ

wgk: 3
rtecs: US7972100
ridadr: UN 2811 6.1/PG 3
毒性: LD50 in male, female rats (mg/kg): 634, 557 orally; 18.1, 25.0 i.v.; in male, female mice: 634, 650 orally; 20.7, 19.9 i.v. (Odani, Sado)
hs_code: 2933399090
risk_code: 23/24/25
hazard_code: T
safety_code: 36/37/39-45
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

薬理情報

FDA Pharmacological Classification · 2 件

NICARDIPINE HYDROCHLORIDE

Dihydropyridines [CS]; Cytochrome P450 2C8 Inhibitors [MoA]; Dihydropyridine Calcium Channel Blocker [EPC]; Cytochrome P450 3A4 Inhibitors [MoA]; Calcium Channel Antagonists [MoA]; Cytochrome P450 2C19 Inhibitors [MoA]; Cytochrome P450 2D6 Inhibitors [MoA]

MeSH Pharmacological Classification · 3 件

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.

Drugs used to cause dilation of the blood vessels.

応用分野 · 6 件

用途カルシウム拮抗剤です。L 型電位依存性カルシウムチャネルのN 部位に結合し、細胞内へのカルシウムイオン流入を抑制する作用を示します。

用途カルシウム拮抗剤です。L型電位依存性カルシウムチャネルのN部位に結合し、細胞内へのカルシウムイオン流入を抑制する作用を示します。

用途薬理研究用

説明Nicardipine is a dihydropyridine L-type calcium channel antagonist that displays antihypertensive and antianginal activity. It is reported to inhibit adenosine A1, A2A, and A3 receptors with Ki values of 19.6, 63.8, and 3.25 μM, respectively, and can inhibit cytochrome P450 3A4 catalytic activity with an IC50 value of 0.148 μM. Additionally, nicardipine has been shown to activate transient receptor potential A1 channels, producing an increase in Ca2+ (EC50 = 0.5 μM).

使用Dihydropyridine calcium channel blocker. Antianginal; antihypertensive

一般的な説明Nicardipine hydrochloride,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylicacid methyl 2-[methyl(phenylmethyl)amino]ethylester hydrochloride (Cardene), is a more potent vasodilator ofthe systemic, coronary, cerebral, and renal vasculature andhas been used in the treatment of mild, moderate, and severehypertension. The drug is also used in the management of stableangina.

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

ニカルジピン塩酸塩

基本情報

概要