3,4-Diaminopyridine

HCID 5918CAS 54-96-6

기본 정보

표준 SMILES
Nc1ccncc1N
InChIKey
OYTKINVCDFNREN-UHFFFAOYSA-N
분자식
C5H7N3
평균 분자량
109.13 g/mol
단동위원소 질량
109.06399722

개요

Amifampridine is an aminopyridine.

이름 및 식별자

우선 이름
3,4-Diaminopyridine
IUPAC
pyridine-3,4-diamine
영어명
3,4-Diaminopyridine
분자식
C5H7N3
분자량
109.13

이름 및 동의어

3,4-DIAMINOPYRIDINEpyridine-3,4-diamine54-96-6Amifampridine3,4-Pyridinediamine3,4-DAP4,5-DiaminopyridinePyridine, 3,4-diamino-SC103,4 DiaminopyridineamifampridinaDTXSID6046715
이름 더 보기
3,4-diamino-pyridinNSC 521760AmipyridineWLN: T6NJ CZ DZTIMTEC-BB SBB004341
RU4S6E2G0JNSC-521760DTXCID40267155-22-11-00266 (Beilstein Handbook Reference)NSC521760amifampridinumRefChem:54154N07XX05

데이터베이스 식별자

CAS
54-96-6
PubChem CID
5918
DTXSID
DTXSID6046715
ChEMBL
CHEMBL354077
ChEBI
CHEBI:135948
UNII
RU4S6E2G0J
EC Number
200-220-9
Nikkaji
J51.295H

물성

구조 계산 물성

XLogP
-0.5
극성 표면적
64.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Solubility · 2건

freely soluble in water, and slightly soluble in solvents ethanol, methanol and acetic acid

12.2 [ug/mL] (The mean of the results at pH 7.4)

Human Drugs · 3건

Breastfeeding; Lactation; Neuromuscular Agents; Potassium Channel Blockers;

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

물리화학적 성질

녹는점
216 · 216-218 °C (lit.)
끓는 점
194.6 °C · 194.6°C (rough estimate)
밀도
1.1118 · 1.1118 (rough estimate)
굴절률
1.534 · 1.5340 (estimate)
인화점
240 °C · 240 °C
저장 조건
30 °C · Store below +30°C.

화학적 성질

brownish to brown-grey crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (94.2%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3,4-Diaminopyridine: HSNO Approval: HSR004250 Approved with controls
Hazard Classes and CategoriesAcute Tox. 2 (94.2%)

독성 정보

Hepatotoxicity · 1건

Amifampridine has had limited clinical use, but adverse events have been largely neurologic and gastrointestinal. Serum ALT elevations were not reported in the prelicensure studies of amifampridine but were reported as occurring in a small proportion of patients in safety reviews by the Food and Drug Administration. Nevertheless, there have been no reports of clinically apparent liver injury associated with its use. Thus, liver injury from amifampridine must be rare if it occurs at all.

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Amifampridine

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk
3
rtecs
US7600000
ridadr
UN 2811 6.1/PG 2
독성
LD50 orally in Rabbit: 47 mg/kg LD50 dermal Rabbit > 200 mg/kg
HS 번호
29333999
risk_code
25-26-36/37/38

화학 및 산업

약리 정보

ATC Code · 2건

N - Nervous system

QN - Nervous system

Protein BindingIn vitro human plasma protein binding of amifampridine and 3-N-acetyl amifampridine was 25.3% and 43.3%, respectively.
Pharmacodynamics · 1건

Administration of amifampridine to patients with LES in clinical trials resulted in improvement of the compound muscle action potential (CMAP), muscle function, and quantitative myasthenia gravis (QMG) score. One case of a slight prolongation of the QTc interval in male patient with LEMS and euthyroid Hashimoto’s disease treated with 90 mg of amifampridine in combination with 100 mg azathioprine was reported. _In vitro_, amifampridine was shown to modulate cardiac conduction and induce phasic contractions in different arteries from several species. In addition, it stimulated potassium-evoked dopamine and noradrenaline release in rat hippocampal slices and upregulate acetylcholine release in the brain. It may also potentiate adrenergic and cholinergic neuromuscular transmission in the gatrointestinal tract. In a single pharmacokinetic study, no effect was observed of amifampridine phosphate on cardiac repolarization as assessed using the QTc interval. There were no changes in heart rate, atrioventricular conduction or cardiac depolarization as measured by the heart rate, PR and QRS interval durations.

Mechanism of Action · 1건

Amifampridine is a symptomatic treatment that increases acetylcholine concentrations at the neuromuscular junction. It selectively blocks presynaptic fast voltage-gated potassium channels, thereby prolonging cell membrane depolarization and action potential, and augmenting calcium transport into the nerve endings. Increased intracellular calcium enhances the exocytosis of acetylcholine-containing vesicles and enhances impulse transmission at central, autonomic, and neuromuscular synapses. Amifampridine improves muscle strength and resting compound muscle action potential (CMAP) amplitudes with an overall weighted mean difference of 1.69 mV.

Biological Half-LifeThe average elimination half-life of amifampridine was 3.6 to 4.2 hours and 4.1 to 4.8 hours for the 3-N-acetyl amifampridine metabolite.
Metabolism/MetabolitesAmifampridine is extensively metabolized by N-acetyltransferase 2 (NAT2) to 3-N-acetyl-amifampridine, which is considered an inactive metabolite.
응용 분야 · 1건

용도It is a potassium channel blocker in nerve terminals. It inhibits potassium channel efflux, increasing the duration of the action potential, which results in an increase in the duration of calcium channel opening and enhanced acetylcholine (ACh) release. Increased ACh availability at the motor end plate allows muscles to contract.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]

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121건

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