Zofenopril
Grundinformationen
- CAS
81872-10-8- Standard-SMILES
C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O- InChIKey
IAIDUHCBNLFXEF-MNEFBYGVSA-N- Summenformel
- C22H23NO4S2
- Durchschnittliche Molmasse
- 429,6 g/mol
- Monoisotopische Masse
- 429,10685056
Überblick
Zofenopril is a proline derivative that is 4-(phenylsulfanyl)-L-proline in which the amine proton is replaced by a (2S)-3-(benzoylsulfanyl)-2-methylpropanoyl group. A prodrug for zofenoprilat. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a vasodilator agent, an anticonvulsant, a prodrug, an apoptosis inhibitor and a cardioprotective agent. It is a N-acyl-L-amino acid, an aryl sulfide, a thioester and a L-proline derivative. It is a conjugate acid of a zofenopril(1-).
Namen und Bezeichner
- Bevorzugter Name
- Zofenopril
- IUPAC
- (2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
- Englischer Name
- Zofenopril
- Summenformel
- C22H23NO4S2
- Molmasse
- 429.55
Namen und Synonyme
Zofenopril81872-10-8ZofenoprilumZofenilDTXSID0046640290ZY759PISQ-26900CHEBI:78539DTXCID50153934L-Proline, 1-(3-(benzoylthio)-2-methyl-1-oxopropyl)-4-(phenylthio)-, (1(R*),2alpha,4alpha)-(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylic acidZofil
Weitere Namen anzeigen
NAANAPHTHALENEACETIC ACIDNAA(R)NAA(TM)ALPHA-NAAROOTONE(R)FRUIT FAX(R)Zofenopril-d5AKOS AU36-M588
(2S,4S)-1-((2S)-3-(benzoylsulfanyl)-2-methylpropanoyl)-4-(phenylsulfanyl)pyrrolidine-2-carboxylic acid(2S,4S)-1-((2S)-3-(benzoylsulfanyl)-2-methylpropanoyl)-4-phenylsulfanylpyrrolidine-2-carboxylic acid(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acidRefChem:196203C09AA15(2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acidCHEMBL331378Zofenopril (INN)
Datenbank-Bezeichner
- CAS
81872-10-8- PubChem CID
- 92400
- DTXSID
DTXSID0046640- ChEMBL
CHEMBL331378- ChEBI
CHEBI:78539- UNII
- 290ZY759PI
- Nikkaji
- J23.314E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 125 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 587
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antihypertensives
Physikochemische Eigenschaften
- Schmelzpunkt
- 129 · 129-131.5 °C(lit.)
- Siedepunkt
- 646.3 · 646.3±55.0 °C(Predicted)
- Dichte
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 5 mg/mL · DMSO: 5 mg/mL (11.64 mM)
- pka
- 1 · pK1:4.236 (25°C)
- Aggregatzustand
- crystalline
- Farbe
- light yellow
- CAS Datenbank
- 81872 · 81872-10-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- QJ0875000
- risk_code
- 22-37/38-41
- hazard_code
- Xn,Xi
- safety_code
- 23-24/25
- hazard_class
- IRRITANT
Chemie und Industrie
Pharmakologische Informationen
ATC Code
C09BA15
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
A class of drugs whose main indications are the treatment of hypertension and heart failure. They exert their hemodynamic effect mainly by inhibiting the renin-angiotensin system. They also modulate sympathetic nervous system activity and increase prostaglandin synthesis. They cause mainly vasodilation and mild natriuresis without affecting heart rate and contractility.
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.
Anwendungen
VerwendenZofenopril-d5 is intended for use as an internal standard for the quantification of Zofenopril by GC- or LC-mass spectrometry.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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Ergänzende Hinweise
DefinitionChEBI: A proline derivative that is 4-(phenylsulfanyl)-L-proline in which the amine proton is replaced by a (2S)-3-(benzoylsulfanyl)-2-methylpropanoyl group. A prodrug for zofenoprilat.
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