기본 정보
- 표준 SMILES
C#CCN(C)Cc1ccccc1- InChIKey
DPWPWRLQFGFJFI-UHFFFAOYSA-N- 분자식
- C11H13N
- 평균 분자량
- 159.23 g/mol
- 단동위원소 질량
- 159.10479942
개요
Pargyline is an aromatic amine.
이름 및 식별자
- 우선 이름
- Pargyline
- IUPAC
- N-benzyl-N-methylprop-2-yn-1-amine
- 영어명
- Pargyline
- 분자식
- C11H13N
- 분자량
- 159.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
555-57-7- PubChem CID
- 4688
- DTXSID
DTXSID3023423- ChEMBL
CHEMBL673- ChEBI
CHEBI:7930- UNII
- 9MV14S8G3E
- EC Number
- 209-101-6
- Nikkaji
- J6.471H
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 159
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 15 · 15-20 °C
- 끓는 점
- 86 · 86-88 °C4 mm Hg(lit.)
- 밀도
- 0.944 g/mL · 0.944 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.522(lit.)
- 인화점
- 183 °F · 183 °F
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 6.9 · pKa 6.9 (Uncertain)
- 색상
- 맑은 노란색
- 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
화학적 성질
CLEAR YELLOW LIQUID
안전 및 규제
GHS 분류
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.
유해성 정보
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
pargyline
DILI Negative
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- wgk
- 3
- rtecs
- DP6475000
- ridadr
- UN 2810 6.1/PG 3
- HS 번호
- 29214900
- risk_code
- 23/24/25-36/37/38-22
- hazard_code
- T
- safety_code
- 26-36/37/39-45-23
- 포장분류
- III
- 위험 등급
- 6.1(b)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
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)
용도 및 제조
응용 분야
용도analgesic
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
불러오는 중…