パルギリン

Pargyline

HCID 4688CAS 555-57-7

基本情報

標準SMILES
C#CCN(C)Cc1ccccc1
InChIKey
DPWPWRLQFGFJFI-UHFFFAOYSA-N
分子式
C11H13N
平均分子量
159.23 g/mol
単同位体質量
159.10479942

概要

Pargyline is an aromatic amine.

名称と識別子

優先名称
Pargyline
IUPAC
N-benzyl-N-methylprop-2-yn-1-amine
現地名
パルギリン
英語名
Pargyline
分子式
C11H13N
分子量
159.23

名称と別名

pargyline555-57-7N-Methyl-N-propargylbenzylaminePargylamineEudatinParagylineSupirdylN-Methyl-N-2-propynylbenzylaminePargilinaPargylinumBenzenemethanamine, N-methyl-N-2-propynyl-benzyl(methyl)(prop-2-yn-1-yl)amine
名称をさらに表示
N-メチル-N-プロパルギルベンゼンメタンアミンメチルベンジルプロパルギルアミンパラギリンエウトニルスピルジルパルギリンパルギラミンN-メチル-N-(2-プロピニル)ベンジルアミンベンジルメチル(2-プロピニル)アミンプロパルギルメチルベンジルアミンN-メチル-N-ベンジル-2-プロピニルアミンN-メチル-N-プロパルギルベンジルアミンオイダチンメチルプロパルギルベンジルアミンN-ベンジル-N-メチル-2-プロピン-1-アミンN-メチル-N-(2-プロピニル)ベンゼンメタンアミンN-メチル-N-プロパギルベンジルアミンN-メチル-N-(2-プロピン-1-イル)ベンジルアミンN‐メチル‐N‐プロパギルベンジルアミンN-ベンジル-N-メチルプロプ-2-イン-1-アミンMO 911A 19120EutonylPargylin
9MV14S8G3EDTXSID3023423Hydrochloride, PargylineRefChem:65904DTXCID903423C02KC01209-101-6N-benzyl-N-methylprop-2-yn-1-amine

データベース識別子

CAS
555-57-7
PubChem CID
4688
DTXSID
DTXSID3023423
ChEMBL
CHEMBL673
ChEBI
CHEBI:7930
UNII
9MV14S8G3E
EC Number
209-101-6
Nikkaji
J6.471H

物性

構造計算による物性

XLogP
2.1
極性表面積
3.2 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
3
重原子数
12

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15
Solubility9.98e-02 g/L
Physical DescriptionSolid
Collision Cross Section133.56 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
15 · 15-20 °C
沸点
86 · 86-88 °C4 mm Hg(lit.)
比重(密度)
0.944 g/mL · 0.944 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.522(lit.)
闪点
183 °F · 183 °F
貯蔵温度
-20 °C · Store at -20°C

化学的性質

化学的特性CLEAR YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)

毒性情報

Drug Induced Liver Injury · 4 件

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

pargyline

DILI Negative

DOI:10.1016/j.drudis.2019.09.022

安全データ

wgk
3
rtecs
DP6475000
ridadr
UN 2810 6.1/PG 3
hs_code
29214900
risk_code
23/24/25-36/37/38-22
消防法
危-4-3-III

化学と産業

薬理情報

ATC Code · 2 件

C - Cardiovascular system

QC - Cardiovascular system

Pharmacodynamics · 1 件

Pargyline is a monoamine oxidase B (MAO-B) inhibitor with antihypertensive properties. Patients taking pargyline must avoid concurrent consumption of tyramine-containing foods such as bleu cheese and beer, as this can lead to a hypertensive crisis.

Mechanism of Action · 1 件

MAOIs act by inhibiting the activity of monoamine oxidase, thus preventing the breakdown of monoamine neurotransmitters and thereby increasing their availability. There are two isoforms of monoamine oxidase, MAO-A and MAO-B. MAO-A preferentially deaminates serotonin, melatonin, epinephrine and norepinephrine. MAO-B preferentially deaminates phenylethylamine and trace amines. Pargyline functions by inhibiting the metabolism of catecholamines and tyramine within presynaptic nerve terminals. Catecholamines cause general physiological changes that prepare the body for physical activity (fight-or-flight response). Some typical effects are increases in heart rate, blood pressure, blood glucose levels, and a general reaction of the sympathetic nervous system.

MeSH Pharmacological Classification · 2 件

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414)

Cellular LocationsCytoplasm

用途と製造

Use ClassificationPharmaceuticals -> Nervous System -> Analgesics

応用分野

使用analgesic

サプライヤー50 社

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関連反応

22 件

関連ノート

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