リスリド

Lisuride

HCID 28864CAS 140387-89-9

基本情報

標準SMILES: CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIKey: SORAZNWVQFKAFD-IBIFCFAISA-N
分子式: C20H26N4O
平均分子量: 338.4 g/mol

概要

Lisuride is a monocarboxylic acid amide. It has a role as a serotonergic agonist, an antiparkinson drug, a dopamine agonist and an antidyskinesia agent. It derives from a hydride of an ergoline.

名称と識別子

優先名称: Lisuride
IUPAC: 3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
現地名: リスリド
英語名: S-(-)-LISURIDE
分子式: C20H26N4O
分子量: 338.45

名称と別名

LISURIDELysuride18016-80-3LisuridaLisuridumDoperginN'-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylureaE0QN3D755ODTXSID3023217CHEBI:51164Methylergol CarbamideLysurid

名称をさらに表示

N'-(9,10-ジデヒドロ-6-メチルエルゴリン-8α-イル)-N,N-ジエチル尿素リスリドメチルエルゴルカルバミドN'-[(5β)-9,10-ジデヒドロ-6-メチルエルゴリン-8α-イル]-N,N-ジエチル尿素3-[(8α)-9,10-ジデヒドロ-6-メチルエルゴリン-8-イル]-1,1-ジエチル尿素N′-(9,10-ジデヒドロ-6-メチルエルゴリン-8α-イル)-N,N-ジエチル尿素N′-[(5β)-9,10-ジデヒドロ-6-メチルエルゴリン-8α-イル]-N,N-ジエチル尿素3,3-ジエチル-1-[(4S,7R)-6-メチル-6,11-ジアザテトラシクロ[7.6.1.02,7.012,16]ヘキサデカ-1(16),2,9,12,14-ペンタエン-4-イル]尿素LisuridCABERQOLINEMesorgydinePrestwick_525S-(-)-LISURIDELisuride (S)(-)(+)-(5R,8S)-Lisuride

Urea, N'-((8alpha)-9,10-didehydro-6-methylergolin-8-yl)-N,N-diethyl-3,3-diethyl-1-[(4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-yl]ureaMesylate, Lisuride3,3-diethyl-1-((4S,7R)-6-methyl-6,11-diazatetracyclo(7.6.1.0^(2,7).0^(12,16))hexadeca-1(16),2,9,12,14-pentaen-4-yl)ureaRevanil 200Carbamide, MethylergolHydrochloride, LisurideRefChem:799371

データベース識別子

CAS: 140387-89-9、18016-80-3
PubChem CID: 28864
DTXSID: DTXSID3023217
ChEMBL: CHEMBL157138
ChEBI: CHEBI:51164
UNII: E0QN3D755O
EC Number: 241-925-1
Nikkaji: J10.957F

物性

構造計算による物性

XLogP: 2.7
極性表面積: 51.4 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 25
形式電荷: 0
複雑度: 544

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

LogP2.2

Solubility1.40e-01 g/L

Human DrugsBreast Feeding; Lactation; Antiparkinson Agents; Dopamine Agonists; Serotonin Receptor Agonists

Physical DescriptionSolid

物理化学的性質

融点: 186 ° · 186°
比旋光度: 20 · D20 +313° (c = 0.60 in pyridine)
沸点: 603.4 · 603.4±55.0 °C(Predicted)
比重(密度): 1.23 · 1.23±0.1 g/cm3(Predicted)
酸解離定数(Pka): 13.06 · 13.06±0.20(Predicted)
外見: Solid
色: Off-white to light yellow
CAS データベース: 18016 · 18016-80-3

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 2 (100%)

毒性情報

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H300

化学と産業

薬理情報

ATC Code · 4 件

G - Genito urinary system and sex hormones

N - Nervous system

QG - Genito urinary system and sex hormones

QN - Nervous system

Protein Bindingabout 15%

PharmacodynamicsThere is evidence that lisuride lowers prolactin levels and, in low doses, prevents migraine attacks.

Mechanism of Action · 1 件

Lisuride is an anti-Parkinson drug chemically related to the dopaminergic ergoline Parkinson's drugs. Lisuride binds to the 5-HT(1A) and 5-HT(2A/2C) receptors. It is also thought to bind to the dopamine receptor and to act as a dopamine agonist. Evidence has also emerged that Lisuride also binds to the Histamine H1 receptor.

MeSH Pharmacological Classification · 3 件

Agents used in the treatment of Parkinson's disease. The most commonly used drugs act on the dopaminergic system in the striatum and basal ganglia or are centrally acting muscarinic antagonists.

Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.

Drugs that bind to and activate dopamine receptors.

Cellular LocationsMembrane

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