기본 정보
- CAS
25905-77-5- 표준 SMILES
Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1- InChIKey
LDMWSLGGVTVJPG-UHFFFAOYSA-N- 분자식
- C17H22N4O
- 평균 분자량
- 298.4 g/mol
- 단동위원소 질량
- 298.17936134
개요
Minaprine is a secondary amine, a member of pyridazines and a member of morpholines. It has a role as an antidepressant, a cholinergic drug, an antiparkinson drug, a serotonin uptake inhibitor and a dopamine uptake inhibitor.
이름 및 식별자
- 우선 이름
- Minaprine
- IUPAC
- 4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
- 영어명
- Minaprine dihydrochloride
- 분자식
- C17H22N4O
- 분자량
- 298.38
이름 및 동의어
minaprine25905-77-5CantorMinaprinaMinaprinumAGR 1240N-(4-Methyl-6-phenyl-3-pyridazinyl)-4-morpholineethanamineAgr-12404-Morpholineethanamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-4-Methyl-3-(2-morpholinoethylamino)-6-phenylpyridazinCB 300384-(2-((4-Methyl-6-phenyl-3-pyridazinyl)amino)ethyl)morpholine
이름 더 보기
TS-370minaprinMinaprin diHClMinaprine 2HClMINAPRINE HYDROCHLORIDEMINAPRIN DIHYDROCHLORIDE
4-methyl-N-[2-(morpholin-4-yl)ethyl]-6-phenylpyridazin-3-amine00U7GX0NLMCB-30038DTXSID5048477CHEBI:510384-[2-[(4-Methyl-6-phenyl-3-pyridazinyl)amino]ethyl]morpholine4-methyl-N-(2-(morpholin-4-yl)ethyl)-6-phenylpyridazin-3-amine3-(morpholinoethyl)amino-4-methyl-6-phenylpyridazine
데이터베이스 식별자
- CAS
25905-77-5- PubChem CID
- 4199
- DTXSID
DTXSID5048477- ChEMBL
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 50.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 316
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP
2
2.03
Solubility7.01e-02 g/L
Melting Point122 °C
Physical DescriptionSolid
Collision Cross Section172.37 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 122 ° · 122°
- 끓는 점
- 531.2 · 531.2±50.0 °C(Predicted)
- 밀도
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 35 mg/mL · DMSO : ≥ 35 mg/mL (117.30 mM)
- 산도 계수 (pKa)
- 6.8 · 6.80±0.10(Predicted)
- 주요 응용
- 법의학 및 독성학의약품(소분자)
- InChI
- 1S/C17H22N4O.2ClH/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21;;/h2-6,13H,7-12H2,1H3,(H,18,20);2*1H
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- QE3477830
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
Pharmacodynamics
Minaprine is an amino-phenylpyridazine antidepressant reported to be relatively free of cardiotoxicity, drowsiness, and weight gain. Similar to other antidepressant treatments, minaprine attenuates the beta-adrenergic receptor function. Studies have also shown that minaprine improves memory consolidation and that repeated drug administration leads to potentiation of this effect. Moreover, the effects of minaprine on memory consolidation are related to its dopaminergic action.
Mechanism of Action
Minaprine binds to serotonin type 2 receptors and to dopamine D1 and D2 type receptors. It also binds to the serotonin reuptake pump. Therefore, minaprine blocks the reuptake of both dopamine and serotonin. It is also, to a slight degree, cholinomimetic. Thus it may exhibit both mood-brightening and nootropic properties. It also acts as a reversible inhibitor of MAO-A (RIMA).It has also been found to inhibit acetylcholinesterase.
Metabolism/Metabolites
Hepatic. Cytochrome P4502D is responsible for the 4-hydroxylation of minaprine to 4-hydroxyminaprine.
Minaprine has known human metabolites that include 4-Hydroxyminaprine.
MeSH Pharmacological Classification
Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.
Cellular LocationsCytoplasm
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