Lofexidine

HCID 30668

기본 정보

CAS
31036-80-3
표준 SMILES
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
InChIKey
KSMAGQUYOIHWFS-UHFFFAOYSA-N
분자식
C11H12Cl2N2O
평균 분자량
259.13 g/mol
단동위원소 질량
258.03266836

개요

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.

이름 및 식별자

우선 이름
Lofexidine
IUPAC
2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
영어명
Lofexidine
분자식
C11H12Cl2N2O
분자량
259.13

이름 및 동의어

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
이름 더 보기
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]

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.6
극성 표면적
33.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
16

실험 및 물리화학적 성질

LogP1.18
Solubility · 2건

Soluble

1.47e-01 g/L

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

221-223

127 °C

Physical DescriptionSolid
Dissociation Constants9.43

물리화학적 성질

녹는점
126 · 126-128°
끓는 점
421.5 · 421.5±35.0 °C(Predicted)
밀도
1.39 · 1.39±0.1 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도
62.5 mg/mL · DMSO: 62.5 mg/mL (241.19 mM)
물리적 상태
Solid

안전 및 규제

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

화학 및 산업

약리 정보

ATC Code · 2건

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 · 1건

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 · 1건

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 · 1건

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.

응용 분야

용도An tihypertensive.

공급사53 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

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