Grundinformationen
- Standard-SMILES
CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1- InChIKey
ZJKNESGOIKRXQY-UHFFFAOYSA-N- Summenformel
- C12H12N2O2S
- Durchschnittliche Molmasse
- 248,3 g/mol
- Monoisotopische Masse
- 248,06194862
Überblick
Enoximone is an aromatic ketone.
Namen und Bezeichner
- Bevorzugter Name
- Enoximone
- IUPAC
- 4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one
- Englischer Name
- Enoximone
- Summenformel
- C12H12N2O2S
- Molmasse
- 248.3
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
77671-31-9- PubChem CID
- 53708
- DTXSID
DTXSID8045147- ChEMBL
CHEMBL249856- ChEBI
CHEBI:135010- UNII
- C7Z4ITI7L7
- EC Number
- 989-259-7
- Nikkaji
- J22.780C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 83,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 371
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 255 · 255-258°C
- Dichte
- 1.33 · 1.33
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 28 mg/mL, · DMSO: 28 mg/mL, soluble
- pka
- 10.37 · 10.37±0.70(Predicted)
- Aggregatzustand
- solid
- Farbe
- light yellow
- InChI
- 1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)
- InChIKey
- ZJKNESGOIKRXQY-UHFFFAOYSA-N
- SMILES
- CSc1ccc(cc1)C(=O)C2=C(C)NC(=O)N2
- CAS Datenbank
- 77671 · 77671-31-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3249
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Pharmacodynamics
Enoximone is a phosphodiesterase inhibitor (type III) that increases the force of contraction of the heart and dilates blood vessels. In June 2005, Myogen announced that they were discontinuing development of enoximone due to negative results. The drug is approved for use in the UK.
Mechanism of Action
Further research is required to determine accurately the mechanism of action of drugs with phosphodiesterase inhibitory activity, however, inhibition of PDE3 inhibits degredation of cGMP. This allows for increased NO release and vascular relaxation.
MeSH Pharmacological Classification
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).
Drugs used to cause dilation of the blood vessels.
Compounds that specifically inhibit PHOSPHODIESTERASE 3.
Anwendungen
BeschreibungEnoximone is a phosphodiesterase inhibitor indicated for selective use as a cardiostimulant in heart transplant patient maintenance. It is currently being investigated for other indications including acute congestive heart failure.
VerwendenEnoximone is a phosphodiesterase inhibitor used in the treatment of congestive heart failure and is selective to phosphodiesterase 3. Potent PDE-3 inhibitor.
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