Grundinformationen
- Standard-SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]- InChIKey
VKQFCGNPDRICFG-UHFFFAOYSA-N- Summenformel
- C20H24N2O6
- Durchschnittliche Molmasse
- 388,4 g/mol
- Monoisotopische Masse
- 388,16343649
Namen und Bezeichner
- Bevorzugter Name
- Nisoldipine
- IUPAC
- 3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- Englischer Name
- Nisoldipine
- Summenformel
- C20H24N2O6
- Molmasse
- 388.41
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
63675-72-9- PubChem CID
- 4499
- DTXSID
DTXSID0023371- ChEMBL
CHEMBL1726、CHEMBL3192341、CHEMBL441428- ChEBI
CHEBI:76917- UNII
- 4I8HAB65SZ
- EC Number
- 264-407-7
- Nikkaji
- J19.554E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 110 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 704
Experimentelle und physikochemische Eigenschaften
LogP
3.26
3.1
Collision Cross Section
195.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0023371]
190.3 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];184.16 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];193.15 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
187.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 147 · 147-148°C
- Siedepunkt
- 503.3 · 503.3±50.0 °C(Predicted)
- Dichte
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- room temp
- Löslichkeit
- 10 mg/mL · DMSO: >10mg/mL
- Aggregatzustand
- powder
- pka
- 2.67 · 2.67±0.70(Predicted)
- Farbe
- yellow
- Merck
- 14 · 14,6565
- InChI
- 1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
- InChIKey
- VKQFCGNPDRICFG-UHFFFAOYSA-N
- SMILES
- COC(=O)C1=C(C)NC(C)=C(C1c2ccccc2[N+]([O-])=O)C(=O)OCC(C)C
- CAS Datenbank
- 63675 · 63675-72-9(CAS DataBase Reference)
- NIST chemische Informationen
- Nisoldipine(63675-72-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (60.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H361 (36.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H411 (34.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P264, P270, P273, P280, P301+P317, P302+P352, P317, P318, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Toxikologische Informationen
Adverse Effects
Though nisoldipine is well-tolerated among patients, the drug does have some side effects mainly associated with its vasodilating property. Common adverse effects associated with nisoldipine include flushing, vasodilation (4%), hypotension, syncope, peripheral edema (7% to 29%,dose-related), headache (22%), dizziness (3% to 10%), and nausea (2%).;Additionally, adverse reactions such as chest pain (2%), palpitations (3%), dermatitis (2%), pharyngitis (5%), and sinusitis (3%) are reported in patients taking nisoldipine. Occasional adverse effects (less than 1% of the population) include anemia, anxiety, alopecia, dysphagia, and gingival hyperplasia.;In less than 1% of the population taking nisoldipine, the following adverse reactions are reported in postmarketing surveillance.;Increased blood urea nitrogen, increased creatine phosphokinase, abnormal hepatic function, increased serum creatinine, anorexia, hepatomegaly, abnormal dreams, amnesia, ataxia, cerebral ischemia, cerebrovascular accident, depression, drowsiness, insomnia, abnormal T waves on ECG, ejection murmur (systolic), first-degree atrioventricular block, atrial fibrillation, supraventricular tachycardia, amblyopia, blepharitis, diaphoresis, glaucoma, keratoconjunctivitis, exfoliative dermatitis, facial edema, dermal ulcer, hypersensitivity reaction, maculopapular rash, increased appetite, oral mucosa ulcer, hematuria, colitis, diarrhea, dysgeusia, dyspepsia, dysuria, epistaxis, gastritis, gastrointestinal bleeding, glossitis, leukopenia, malaise, melena, fever, flu-like symptoms, arthralgia, arthritis, gout, bruise, herpes simplex infection, herpes zoster, cellulitis, dyspnea, decreased libido, and gynecomastia is reported by manufacturer's product label.;In patients receiving peritoneal dialysis, there is a risk of nisoldipine-associated chyloperitoneum.;Withdrawal Effects: Studies have shown that the abrupt withdrawal of nisoldipine may result in chest palpitations, chest pain, or increased severity of angina or hypertension. Thus, the medication must be slowly tapered over time.;Drug-Drug Interactions;* Nisoldipine is a substrate of the CYP3A4 enzyme. Avoid concurrent use of nisoldipine with cytochrome P450 inducers such as phenytoin. Rifamycins are inducers of cytochrome P450; avoid concurrent use with nisoldipine.;* Avoid the concurrent use of nisoldipine with cytochrome P450 inhibitors such as itraconazole, as it can increase the serum concentration of nisoldipine and increase the risk of toxicity.;* Concurrent administration of calcium channel blockers with dantrolene increases the risk of hyperkalemia.;* Nisoldipine has the potential to interact with garlic and turmeric. Nisoldipine acts upon UGT (UDP-glucuronosyltransferase). Garlic and turmeric inhibit UGT, which can increase the serum concentration of nisoldipine. Avoid concurrent administration.
Toxicity Summary
Toxicity due to nisoldipine is diagnosed based on clinical status and history. As described above, hypotension with reflex tachycardia can occur when patients take excessive doses of dihydropyridine calcium channel blockers such as nisoldipine. In some severe cases of nisoldipine toxicity, the clinician will note hypotension with bradycardia. Secondary findings of confusion, heart failure, and abnormal ECG changes such as PR prolongation can indicate toxicity. Additionally, hyperglycemia in patients without diabetes can suggest calcium channel blockers poisoning.;If toxicity is suspected, resuscitation is a priority. IV fluids and atropine for bradycardia are necessary alongside frequent reassessments by clinical staff. If a patient presents with severe symptoms, maintaining the airway, IV isotonic crystalloid, calcium salts, glucagon, insulin, and vasopressor therapy are all viable options. Activated charcoal should be administered to all patients suspected of nisoldipine overdose.Due to high plasma protein binding, dialysis is usually ineffective in nisoldipine overdose. Extracorporeal life support is associated with improved survival in patients with severe CCB poisoning related to cardiac arrest.
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Nisoldipine
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation;Because no information is available on the use of nisoldipine during breastfeeding, an alternate drug may be preferred.;◉ Effects in Breastfed Infants;Relevant published information was not found as of the revision date.;◉ Effects on Lactation and Breastmilk;Relevant published information was not found as of the revision date.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933399090
- RTECS-Nr.
- US7975600
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
ATC Code
C - Cardiovascular system;C08 - Calcium channel blockers;C08C - Selective calcium channel blockers with mainly vascular effects;C08CA - Dihydropyridine derivatives;C08CA07 - Nisoldipine
QC - Cardiovascular system;QC08 - Calcium channel blockers;QC08C - Selective calcium channel blockers with mainly vascular effects;QC08CA - Dihydropyridine derivatives;QC08CA07 - Nisoldipine
Pharmacodynamics
Nisoldipine, 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. Nisoldipine is similar to other peripheral vasodilators. Nisoldipine 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, Nisoldipine 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.
Metabolism/Metabolites
Pre-systemic metabolism in the gut wall, and this metabolism decreases from the proximal to the distal parts of the intestine. Nisoldipine is highly metabolized; 5 major urinary metabolites have been identified. The major biotransformation pathway appears to be the hydroxylation of the isobutyl ester. A hydroxylated derivative of the side chain, present in plasma at concentrations approximately equal to the parent compound, appears to be the only active metabolite and has about 10% of the activity of the parent compound. Cytochrome P450 enzymes are believed to play a major role in the metabolism of nisoldipine. The particular isoenzyme system responsible for its metabolism has not been identified, but other dihydropyridines are metabolized by cytochrome P450 IIIA4.
Nisoldipine has known human metabolites that include 2,6-Dimethyl-5-(2-methylpropoxycarbonyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid, 5-O-(1-hydroxy-2-methylpropyl) 3-O-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Dehydro Nisoldipine.
FDA Pharmacological Classification
4I8HAB65SZ
NISOLDIPINE
Established Pharmacologic Class [EPC] - Dihydropyridine Calcium Channel Blocker
Chemical Structure [CS] - Dihydropyridines
Mechanisms of Action [MoA] - Calcium Channel Antagonists
Physiologic Effects [PE] - Decreased Blood Pressure
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.
Drugs used to cause dilation of the blood vessels.
Absorption, Distribution and Excretion
Relatively well absorbed into the systemic circulation with 87% of the radiolabeled drug recovered in urine and feces. The absolute bioavailability of nisoldipine is about 5%.
Although 60-80% of an oral dose undergoes urinary excretion, only traces of unchanged nisoldipine are found in urine.
Verwendung und Herstellung
Anwendungen
BeschreibungNisoldipine D4 is another long-acting dihydropyridine calcium channel blocker effective in the treatment of hypertension and angina pectoris. It is reported to have little or no cardiodepressive activity and to be more effective than nifedipine in reducing blood pressure in hypertensives. Nisoldipine has also been shown to be effective in the management of congestive heart failure. Reduction in dosage is necessary in patients with hepatic, but not renal impairment.
VerwendenLabeled Nisoldipine, intended for use as an internal standard for the quantification of Nisoldipine by GC- or LC-mass spectrometry.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, calcium channel blocker, is used in the treatment of hypertension and angina pectoris.
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