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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 159
実験および物理化学的性質
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
- 溶解性
- Soluble in DMSO
- 外見
- 液体
- 酸解離定数(Pka)
- 6.9 · pKa 6.9 (Uncertain)
- 色
- クリアイエロー
- Merck
- 14 · 14,7038
- InChI
- 1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
- InChIKey
- DPWPWRLQFGFJFI-UHFFFAOYSA-N
- SMILES
- CN(CC#C)Cc1ccccc1
化学的性質
化学的特性CLEAR YELLOW LIQUID
安全と法規制
GHS分類
GHS Classification
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
毒性情報
Drug Induced Liver Injury
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
- hazard_code
- T
- safety_code
- 26-36/37/39-45-23
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Pharmacodynamics
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
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
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)
用途と製造
応用分野
使用analgesic
上流・下流製品情報
上流原料
サプライヤー50 社
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