Lofexidine

HCID 30668

Grundinformationen

CAS
31036-80-3
Standard-SMILES
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
InChIKey
KSMAGQUYOIHWFS-UHFFFAOYSA-N
Summenformel
C11H12Cl2N2O
Durchschnittliche Molmasse
259,13 g/mol
Monoisotopische Masse
258,03266836

Überblick

Lofexidine is a dichlorobenzene, a member of imidazoles, a carboxamidine and an aromatic ether. It has a role as an alpha-adrenergic agonist and an antihypertensive agent.

Namen und Bezeichner

Bevorzugter Name
Lofexidine
IUPAC
2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
Englischer Name
Lofexidine
Summenformel
C11H12Cl2N2O
Molmasse
259.13

Namen und Synonyme

Lofexidine31036-80-32-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazoleLofexidinaLofexidinum2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline2-(1-(2,6-Dichlorophenoxy)ethyl)-4,5-dihydro-1H-imidazole1H-Imidazole, 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-2-[1-(2,6-dichlorophenoxy)ethyl]-2-imidazolineDTXSID7023221UI82K0T627DTXCID703221
Weitere Namen anzeigen
MDL-14042LofexidinLofexidineBaseLofexidine USP/EP/BPLofexidine, 10 mM in DMSO6-dichlorophenoxy)ethyl)-2-imidazoline2-(1-(2-[1-(2,6-Dichlomphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CHEBI:513681H-Imidazole, 2-(1-(2,6-dichlorophenoxy)ethyl)-4,5-dihydro-2-(1-(2,6-DICHLOROPHENOXY)ETHYL)-2-IMIDAZOLINE2-(alpha-(2,6-dichlorophenoxy)ethyl) delta-2-imidazolineRefChem:58519N07BC04Lofexidinum [INN-Latin]Lofexidina [INN-Spanish]

Datenbank-Bezeichner

CAS
31036-80-3
PubChem CID
30668
DTXSID
DTXSID7023221
ChEMBL
CHEMBL17860
ChEBI
CHEBI:51368
UNII
UI82K0T627
Nikkaji
J20.359I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
33,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
16

Experimentelle und physikochemische Eigenschaften

LogP1.18
Solubility · 2 Einträge

Soluble

1.47e-01 g/L

Human DrugsBreast Feeding; Lactation; Milk, Human; Adrenergic Alpha-2 Receptor Agonists,; Narcotic Antagonists
Melting Point · 2 Einträge

221-223

127 °C

Physical DescriptionSolid
Dissociation Constants9.43

Physikochemische Eigenschaften

Schmelzpunkt
126 · 126-128°
Siedepunkt
421.5 · 421.5±35.0 °C(Predicted)
Dichte
1.39 · 1.39±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit
62.5 mg/mL · DMSO: 62.5 mg/mL (241.19 mM)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

Toxikologische Informationen

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

N - Nervous system

QN - Nervous system

Protein BindingThe protein binding of lofexidine is determined to be moderate and it represents about 55% of the administered dose.
Pharmacodynamics · 1 Eintrag

In clinical trials, lofexidine presented more severe opioid withdrawal effects than observed with methadone. On the other hand, in clinical trials of methadone withdrawal, lofexidine effectively reduced withdrawal symptoms, especially hypotension. The clinical reports have also indicated that lofexidine presents a better outcome when used briefly. In phase 3 clinical trials, lofexidine was shown to generate a significantly higher completion rate of opioid discontinuation. Some pharmacological studies were performed and there were no off-target effects reported.

Mechanism of Action · 1 Eintrag

Lofexidine is a potent alpha2-adrenergic receptor agonist with some moderate agonistic affinity towards Alpha-1A adrenergic receptor and 5-HT1a, 5-HT7, 5HT2c and 5HT1d receptors. The alpha2-adrenergic receptor is normally targeted by norepinephrine and its activation inhibits the synthesis of cAMP which in turn leads to potassium efflux and suppression of neural firing and inhibition of norepinephrine release. All of this activity can reduce the heart rate, blood pressure, and attenuate sympathetic stress response. Opioids inhibit cAMP in the noradrenergic neurons and their discontinuation produces a rise in the level of cAMP. This will generate an increase in norepinephrine which is associated with the symptoms of withdrawal. The magnitude of the effect is augmented by chronic opioid use due to the compensatory mechanisms of continuous negative feedback. Therefore, chronic opioid use translates into an exacerbated production of cAMP and norepinephrine release. Lofexidine replaces the opioid-driven inhibition of cAMP production by activating the alpha2-adrenergic receptor and moderating the symptoms of opioid withdrawal. This effect is performed without interacting with opioid receptors which mediate other activities of opioid dependence or addiction.

Biological Half-LifeThe reported elimination half-life of lofexidine is 11 hours.
Metabolism/Metabolites · 1 Eintrag

Lofexidine metabolic ratio is highly variable among people. It is metabolized mainly by the activity of CYP2D6 and in a minor degree by CYP1A2 and CYP2C19. These enzymes catalyze the hydroxylation of lofexidine and the opening of imidazoline ring to form N-(2-aminoethyl)-2-(2,6-dichlorophenoxy)propanamide. This metabolite is deamidated and forms 2-(2,6-dichlorophenoxy) propionic acid and 2,6-dichlorophenol. These three main metabolites are inactive.

Anwendungen

VerwendenAn tihypertensive.

Anbieter53 Anbieter

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