Rizatriptan

HCID 5078CAS 144034-80-0

기본 정보

표준 SMILES
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
InChIKey
ULFRLSNUDGIQQP-UHFFFAOYSA-N
분자식
C15H19N5
평균 분자량
269.34 g/mol
단동위원소 질량
269.16404561

개요

Rizatriptan is a member of tryptamines. It has a role as an anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It is functionally related to a N,N-dimethyltryptamine.

이름 및 식별자

우선 이름
Rizatriptan
IUPAC
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
영어명
Rizatriptan
분자식
C15H19N5
분자량
269.34

이름 및 동의어

rizatriptan144034-80-0RisatriptanMK 462 free baseN,N-Dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-3-ethanaminerizatriptanum1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamineDTXSID2023565MK-462 FREE BASE51086HBW8GDTXCID103565
이름 더 보기
CS-281Rizatriptan-d3Rizatriptan USP/EP/BPRizatriptan###144034-80-02-(5-((1H-1,2,4-Triazol-1-yl)Acetochlor Impurity 3 (Butachlor)N,N-Dimethyl-5-(1H-1,2,4-trizol-1-ylmethyl)-1H-indole-3-ethanamine1H-Indole-3-ethanaMine,N,N-diMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-
CHEBI:48273L-705126N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-ethanamineDIMETHYL({2-[5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1H-INDOL-3-YL]ETHYL})AMINEN,N-dimethyl-2-(5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl)-ethanamineN,N-dimethyl-2-(5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl)ethanaminedimethyl((2-(5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl)ethyl))amineRefChem:58235

데이터베이스 식별자

CAS
144034-80-0、145202-66-0
PubChem CID
5078
DTXSID
DTXSID2023565
ChEMBL
CHEMBL905
ChEBI
CHEBI:48273
UNII
51086HBW8G
EC Number
812-626-9
Nikkaji
J666.053C

물성

구조 계산 물성

XLogP
1.7
극성 표면적
49.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
20

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals

LogP1.4
Solubility3.38e-01 g/L
Human DrugsBreast Feeding; Lactation; Milk, Human; Serotonin Receptor Agonists; Serotonin 5-HT1 Receptor Agonists; Triptans; Vasoconstrictor Agents
Melting Point · 2건

178-180

178 - 180 °C

Physical DescriptionSolid

물리화학적 성질

녹는점
178 · 178-180°C
끓는 점
504.8 · 504.8±60.0 °C(Predicted)
밀도
1.21 · 1.21±0.1 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa)
16.98 · 16.98±0.30(Predicted)
수용성
42 mg/mL · 42mg/mL

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P203, P260, P261, P264, P264+P265, P270, P271, P280, P304+P340, P305+P351+P338, P318, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

독성 정보

Treatment · 1건

Gastrointestinal decontamination, (i.e., gastric lavage followed by activated charcoal) should be considered in patients suspected of an overdose with Rizatriptan. Clinical and electrocardiographic monitoring should be continued for at least 12 hours, even if clinical symptoms are not observed. (L1712)

Exposure Routes · 1건

Rapid following oral administration. Bioavailability is 45%. Food has no effect on the bioavailability of rizatriptan. However, administering rizatriptan with food will delay by 1 hour the time to reach peak plasma concentration. The rate of absorption is not affected by the presence of a migraine attack.

Toxicity Summary · 1건

Three distinct pharmacological actions have been implicated in the antimigraine effect of the triptans: (1) stimulation of presynaptic 5-HT1D receptors, which serves to inhibit both dural vasodilation and inflammation; (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism.

Signs and SymptomsSymptoms of overdose include dizziness, fainting, heart and blood vessel problems, high blood pressure, loss of bowel and bladder control, slow heartbeat, and vomiting.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 5건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

rizatriptan

DILI Negative

Oral

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H319

화학 및 산업

약리 정보

ATC Code · 3건

N02CC04

N - Nervous system

QN - Nervous system

Protein BindingRizatriptan is minimally bound (14%) to plasma proteins.
Pharmacodynamics · 1건

Rizatriptan relieves migraine-associated symptoms. Rizatriptan is reported to reach the maximum plasma concentrations more quickly and produces a more rapid onset of pain relief than other triptans, such as [sumatriptan]; however, it has a relatively shorter elimination half-life than other triptans. Rizatriptan causes transient increases in blood pressure to some extent. _In vitro_, rizatriptan was shown to contract isolated human coronary arteries; however, since the EC<sub>50</sub> for this effect is high, rizatriptan is not expected to cause myocardial ischemia at therapeutic plasma concentrations in patients with normal coronary circulation. Rizatriptan has a weak affinity for other 5-HT1 receptor subtypes (5-HT<sub>1A</sub>, 5-HT<sub>1E</sub>, 5-HT<sub>1F</sub>) and the 5-HT<sub>7</sub> receptor but has no significant activity at 5-HT<sub>2</sub>, 5-HT<sub>3</sub>, alpha- and beta-adrenergic, dopaminergic, histaminergic, muscarinic or benzodiazepine receptors.

Mechanism of Action · 1건

There are several physiological and molecular processes implicated in the pathophysiology of migraine. Vasodilation of intracranial extracerebral blood vessels, particularly those supplying the dura mater, has been associated with migraine pain. Activation of the trigeminovascular system leads to the release of vasoactive neuropeptides (such as substance P, calcitonin gene-related peptide (CGRP), and neurokinin A) from the trigeminal nerve innervating the intracranial vessels and dura mater. Vasoactive neuropeptides cause perivascular inflammation and vasodilation in the periphery. Migraine-associated nausea and vomiting are thought to arise from the activation of central and nociceptive sensory neurons that project to autonomic brain-stem nuclei and higher subcortical and cortical pain processing centres. An imbalance in serotonin (5-HT) levels has also been documented: 5-HT binds to 5-HT<sub>1B</sub> and 5-HT<sub>1D</sub> receptors to promote trigeminal neuronal firing and vasoconstriction. Rizatriptan is a selective agonist at the 5-HT<sub>1B</sub> and 5-HT<sub>1D</sub> receptors on intracranial blood vessels and sensory nerves of the trigeminal system. It binds to these receptors with high affinity. The exact mechanism of action of rizatriptan has not been fully elucidated; however, several documented pharmacological actions of rizatriptan may contribute to its antimigraine effects. Rizatriptan causes vasoconstriction of intracranial extracerebral blood vessels, which is thought to occur primarily via 5-HT<sub>1B</sub> receptors. Rizatriptan also inhibits nociceptive neurotransmission in trigeminal pain pathways. It attenuates the release of vasoactive neuropeptides by the trigeminal nerve, which is thought to occur via neurogenic and central 5-HT<sub>1D</sub> receptors. Rizatriptan inhibited neurogenic dural vasodilation and plasma protein extravasation in animal studies.

Biological Half-LifeThe plasma half-life of rizatriptan in males and females ranges from two to three hours.
Metabolism/Metabolites · 2건

Rizatriptan primarily undergoes oxidative deamination mediated by monoamine oxidase-A (MAO-A) to form triazolomethyl-indole-3-acetic acid, which is not pharmacologically active. N-monodesmethyl-rizatriptan is a minor metabolite with a pharmacological activity comparable to the parent compound's. Plasma concentrations of N-monodesmethyl-rizatriptan are approximately 14% of those of the parent compound, which is eliminated at a similar rate. Other pharmacologically inactive minor metabolites include the N-oxide, the 6-hydroxy compound, and the sulfate conjugate of the 6-hydroxy metabolite.

Rizatriptan is metabolized by monoamine oxidase A isoenzyme (MAO-A) to an inactive indole acetic acid metabolite. In addition, several other inactive metabolites are formed. An active metabolite, N-monodesmethyl-rizatriptan, with pharmacological activity similar to that of the parent compound has been identified in small concentrations (14%) in the plasma. Route of Elimination: Approximately 14% of an oral dose is excreted in urine as unchanged rizatriptan while 51% is excreted as indole acetic acid metabolite, indicating substantial first pass metabolism. Half Life: 2-3 hours

용도 및 제조

UsesRizatriptan is used to treat acute migraine attacks. It does not prevent future migraine attacks. [Wikipedia]
응용 분야 · 2건

용도Rizatriptan is reported to be a very effective acute migraine drug. It is reported to display high agonist activity at mainly the serotonin 5-HT1B and 5-HT1D receptor subtypes.

일반 설명Rizatriptan, approved in 1998, is a fast-acting triptan becauseof its moderate lipophilicity yet has a very shortelimination half-life similar to sumatriptan (i.e., like sumatriptan,it is mainly metabolized by MAO-A). The only advantagesof this drug when compared with sumatriptan arethat it has a slightly faster onset and that it has an orallydisintegrating tablet formulation which can be taken withoutwater.

공급사50 곳

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