3,4-Diaminopyridine

Amifampridine · PYRIDINE-3,4-DIAMINE · 3,4-diamino-pyridin · 3,4-pyridinediamine · 3,4-DAP · NSC 521760 · Amipyridine · WLN: T6NJ CZ DZ

https://huagongshe.com/ko/chemical/5918

식별자 및 물리적 특성

CAS No.	54-96-6
분자식	C5H7N3
평균 분자량	109.13 g/mol
단동위원소 질량	109.06399722 g/mol
SMILES	Nc1ccncc1N
InChIKey	OYTKINVCDFNREN-UHFFFAOYSA-N
PubChem CID	5918
ChEMBL	CHEMBL354077
ChEBI	CHEBI:135948
EC No.	200-220-9
DTXSID	DTXSID6046715

화학 및 물리적 성질

XLogP	-0.5
극성 표면적	64.9
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	74.1
의약품	Pharmaceuticals -> Listed in ZINC15
용해도	freely soluble in water, and slightly soluble in solvents ethanol, methanol and acetic acid12.2 [ug/mL] (The mean of the results at pH 7.4)30g/L
Human Drugs	BreastfeedingLactationNeuromuscular AgentsPotassium Channel BlockersFDA approved drugs -> Active ingredientEMA approved medicines: Human medicine
녹는점	216-218 °C (lit.)
끓는 점	194.6°C (rough estimate)
밀도	1.1118 (rough estimate)
굴절률	1.5340 (estimate)
인화점	240 °C
저장 조건	Store below +30°C.
물리적 상태	결정성 분말
pKa(산도 계수)	9.17±0.12(Predicted)
색상	갈색~갈색회색
용해도	24 g/L (20 ºC)
Merck	14,2986
BRN	110232
InChI	InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
InChIKey	OYTKINVCDFNREN-UHFFFAOYSA-N
SMILES	C1=NC=CC(N)=C1N

화학적 성질

brownish to brown-grey crystalline powder

안전 및 규제

GHS 분류	DangerH300 (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.
규제 정보	3,4-Diaminopyridine: HSNO Approval: HSR004250 Approved with controls
Hazard Classes and Categories	Acute Tox. 2 (94.2%)
Hepatotoxicity	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	Drug Induced Liver Injury Rank (DILIrank 2.0)AmifampridinevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation
수질 위해 등급(WGK)	3
RTECS 번호	US7600000
운송 번호(UN)	UN 2811 6.1/PG 2
독성	LD50 orally in Rabbit: 47 mg/kg LD50 dermal Rabbit > 200 mg/kg
관세 코드	29333999
위험 문구(R)	25-26-36/37/38
위험 표시	T+,T,Xi
안전 문구(S)	26-28-36/37/39-45-37/39-28A-36

용도

It 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.