基本情報
- CAS
66104-23-2- 標準SMILES
CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O- InChIKey
UWCVGPLTGZWHGS-ZORIOUSZSA-N- 分子式
- C20H30N2O3S2
- 平均分子量
- 410.6 g/mol
- 単同位体質量
- 410.16978517
概要
Pergolide mesylate is a methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. It has a role as a geroprotector, an antiparkinson drug and a dopamine agonist. It contains a pergolide(1+).
名称と識別子
- 優先名称
- Pergolide Mesylate
- IUPAC
- (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
- 現地名
- ペルゴリド·メタンスルホン酸
- 英語名
- Pergolide mesylate salt
- 分子式
- C20H30N2O3S2
- 分子量
- 410.59
名称と別名
PERGOLIDE MESYLATE66104-23-2Pergolide mesilatePergolide MethanesulfonateDTXSID6040583LY127809NSC-319773NSC-758442LY 127809LY-12780955B9HQY616CHEBI:8021
名称をさらに表示
ペルゴリド·メタンスルホン酸ペルゴリドメシラートペルゴリドメシル酸塩ベセラールペルゴリンペルマックスメシル酸ペルゴリドペルゴリド メシル酸塩ペルゴリドメシル酸塩 (JAN)MPENoparPermaxCelanceVeceralPergolinNSC 319773
DTXCID40205838beta-((Methylthio)methyl)-6-propylergoline monomethanesulfonateNSC319773Ergoline, 8-((methylthio)methyl)-6-propyl-, monomethanesulfonate, (8beta)-Prascend8beta-[(methylthio)methyl]-6-propylergoline monomethanesulfonateMesylate, PergolideRefChem:57299
データベース識別子
- CAS
66104-23-2- PubChem CID
物性
構造計算による物性
- 極性表面積
- 107 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 480
実験および物理化学的性質
Solubility2.3 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsFDA approved animal drugs -> Active ingredient
Collision Cross Section177.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 252 · 252-254°C
- 比旋光度
- 20 between · aD20 between -18.0° and -23.0° (c = 10 mg/ml in DMF)
- 貯蔵温度
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 溶解性
- 2 mg/mL · エタノール：ソリュブル2mg/mL
- 外見
- 個体
- 酸解離定数(Pka)
- pKa (66% DMF) 7.8(at 25℃)
- 色
- 白い
- InChIKey
- UWCVGPLTGZWHGS-PLBOZXOQNA-N
- SMILES
- C12=C3C=CC=C1[C@@]1([H])C[C@H](CN(CCC)[C@]1([H])CC2=CN3)CSC.S(=O)(=O)(O)C |&1:6,9,15,r|
- CAS データベース
- 66104 · 66104-23-2(CAS DataBase Reference)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.
Danger
H300: Fatal if swallowed [Danger Acute toxicity, oral]
危険有害性情報
Hazard Classes and Categories
Acute Tox. 2 (97.6%)
Acute toxicity - category 2
毒性情報
Treatment
Management of overdosage may require supportive measures to maintain arterial blood pressure. Cardiac function should be monitored; an antiarrhythmic agent may be necessary. If signs of CNS stimulation are present, a phenothiazine or other butvronhenone neuroleptic agent may be indicated; the efficacy of such drugs in reversing the effects of overdose has not been assessed. Absorption of drugs from the gastrointestinal tract may be decreased by giving activated charcoal, which, in many cases, is more effective than emesis or lavage; consider charcoal instead of or in addition to gastric emptying. Treatment for ergotism consists of vasodilators, anticoagulants and low molecular weight dextrans. If necessary, a sympathetic nerve blockade may be carried out, such as brachial plexus blockade. Temporary sedation (e.g. haloperidol) will be necessary in hallucination and diazepam is used for convulsions. There is no specific antidote. (L1921, L1930)
Health Effects
Ingestion of ergoline alkaloids is known to cause the disease ergotism. Ergotism occurs in two forms, gangrenous and convulsive, likely depending on the different kinds and amounts of ergoline alkaloids present. The use of pergolide has been shown to increase the risk of cardiac valvular disease. It also increases the risk of fibrotic complications including pulmonary, pleural, and/or retroperitoneal fibrosis, pericarditis, pleuritis, and pericardial and/or pleural effusions. (A2913, L1570)
化学と産業
薬理情報
Metabolism/MetabolitesPergolide undergoes extensive first-pass hepatic metabolism and its metabolism are excreted mainly in the urine. (A2932)
Route of Elimination: The major route of excretion is the kidney.
Half Life: 27 hours
MeSH Pharmacological ClassificationDrugs that bind to and activate dopamine receptors.
用途と製造
Uses
Indicated as adjunctive treatment to levodopa/carbidopa in the management of the signs and symptoms of Parkinson's disease. It was withdrawn from the US and Canadian markets in 2007 due to an increased risk of cardiac valvulopathy. Pergolide is an ergoline-based, long-acting dopamine agonist which is effective in the treatment of Parkinson's disease and hyperprolactinemia. It has also been observed to have antihypertensive effects. Ergoline alkaloids occurs in various species of vines of the Convolvulaceae (morning glory) family and in some species of lower fungi. (L1918, L1929)
応用分野
用途ドーパミンD2 受容体に作用し、 ドーパミン作動作用を示します。
用途ドパミンD2 受容体に作用し、 ドパミン作動作用を示します。
説明Pergolide mesylate is a potent, long-acting dopamine agonist useful in the treatment of Parkinson’s disease and hyperprolactinemia, Compared with lergotrile, pergolide mesylate has shown less toxicity and lower propensity for inducing psychosis.
使用A dopaminergic agonist that also decrease plasma prolactin concentrations. An antiparkinsonian agent
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