基本情報
- CAS
25905-77-5- 標準SMILES
Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1- InChIKey
LDMWSLGGVTVJPG-UHFFFAOYSA-N- 分子式
- C17H22N4O
- 平均分子量
- 298.4 g/mol
- 単同位体質量
- 298.17936134
概要
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.
名称と識別子
- 優先名称
- Minaprine
- IUPAC
- 4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
- 現地名
- ミナプリン
- 英語名
- Minaprine dihydrochloride
- 分子式
- C17H22N4O
- 分子量
- 298.38
名称と別名
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
名称をさらに表示
塩酸ミナプリンN-(4-メチル-6-フェニル-3-ピリダジニル)-4-モルホリンエタンアミン·2塩酸塩N-(4-メチル-6-フェニル-3-ピリダジニル)-4-モルホリンエタンアミンミナプリン3-(2-モルホリノエチルアミノ)-4-メチル-6-フェニルピリダジンN-(4-メチル-6-フェニルピリダジン-3-イル)-4-モルホリンエタンアミンミナプリン二塩酸塩4-メチル-N-[2-(モルホリン-4-イル)エチル]-6-フェニルピリダジン-3-アミン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
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 50.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 5
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 316
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 122 ° · 122°
- 沸点
- 531.2 · 531.2±50.0 °C(Predicted)
- 比重(密度)
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 35 mg/mL · DMSO : ≥ 35 mg/mL (117.30 mM)
- 酸解離定数(Pka)
- 6.8 · 6.80±0.10(Predicted)
- 主な用途
- 法医学と毒物学医薬品（低分子化合物）
- 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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 3
- rtecs
- QE3477830
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
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
応用分野
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