Grundinformationen
- Standard-SMILES
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC- InChIKey
ZVNYJIZDIRKMBF-UHFFFAOYSA-N- Summenformel
- C22H25N3O4
- Durchschnittliche Molmasse
- 395,5 g/mol
- Monoisotopische Masse
- 395,18450629
Namen und Bezeichner
- Bevorzugter Name
- Vesnarinone
- IUPAC
- 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
- Englischer Name
- VESNARINONE
- Summenformel
- C22H25N3O4
- Molmasse
- 395.45
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
81840-15-5- PubChem CID
- 5663
- DTXSID
DTXSID80231411- ChEMBL
CHEMBL17423- ChEBI
CHEBI:31237- UNII
- 5COW40EV8M
- Nikkaji
- J22.952K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 71,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 593
Physikochemische Eigenschaften
- Schmelzpunkt
- 238.1 · 238.1-239.5° (Tominaga); mp 238.1-239.8° (Shimizu)
- Siedepunkt
- 519.41 °C · 519.41°C (rough estimate)
- Dichte
- 1.2414 · 1.2414 (rough estimate)
- Brechungsindex
- 1.65 · 1.6500 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 9.84 · DMSO:9.84(Max Conc. mg/mL);24.88(Max Conc. mM)DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.26(Max Conc. mM)DMF:3.0(Max Conc. mg/mL);7.59(Max Conc. mM)
- Aggregatzustand
- A crystalline solid
- pka
- 2.86 · 2.86(at 25℃)
- Farbe
- White to off-white
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Anwendungen
BeschreibungVesnarinone is a new orally-active positive inotropic agent introduced for the treatment of congestive heart failure. It exerts a positive inotropic effect on the heart and has a peripheral vasodilatory effect. Vesnarinone is claimed not to affect heart rate or aggravate arrhythmia.
VerwendenCardiotonic.
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