ベスナリノン

Vesnarinone

HCID 5663CAS 81840-15-5

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC
InChIKey: ZVNYJIZDIRKMBF-UHFFFAOYSA-N
分子式: C22H25N3O4
平均分子量: 395.5 g/mol
単同位体質量: 395.18450629

名称と識別子

優先名称: Vesnarinone
IUPAC: 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
現地名: ベスナリノン
英語名: VESNARINONE
分子式: C22H25N3O4
分子量: 395.45

名称と別名

vesnarinone81840-15-5OPC-8212Arkin-ZVesnarinonaArkinArkin ZVesnarinonumDRG-02105COW40EV8MDTXSID802314111-(3,4-Dimethoxybenzoyl)-4-(1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)piperazine

名称をさらに表示

ベスナリノンベスナリノン (JAN)OPC 8212CS-21390PC-8212PiteranometozineVesnarinone(OPC8212)VESNARINONE USP/EP/BPOPC8212OPC 8212Vesnarinone, 10 mM in DMSO

pieranometazine6-(4-((3,4-dimethoxyphenyl)carbonyl)piperazin-1-yl)-1,2,3,4-tetrahydroquinolin-2-one6-{4-[(3,4-dimethoxyphenyl)carbonyl]piperazin-1-yl}-1,2,3,4-tetrahydroquinolin-2-oneRefChem:9018293,4-dihydro-6-(4-(3,4-dimethoxybenzoyl)-1-piperazinyl)-2-1H-quinolinoneDTXCID801539023,4-Dihydro-6-(4-(3,4-dimethoxybenzoyl)-1-pip-erazinyl)-2(1H)-quinolinonePiperazine, 1-(3,4-dimethoxybenzoyl)-4-(1,2,3,4-tetrahydr-o-2-oxo-6-quinolinyl)

データベース識別子

CAS: 81840-15-5
PubChem CID: 5663
DTXSID: DTXSID80231411
ChEMBL: CHEMBL17423
ChEBI: CHEBI:31237
UNII: 5COW40EV8M
Nikkaji: J22.952K

物性

構造計算による物性

XLogP: 2.1
極性表面積: 71.1 Å²
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: 4
重原子数: 29
形式電荷: 0
複雑度: 593

物理化学的性質

融点: 238.1 · 238.1-239.5° (Tominaga); mp 238.1-239.8° (Shimizu)
沸点: 519.41 °C · 519.41°C (rough estimate)
比重(密度): 1.2414 · 1.2414 (rough estimate)
屈折率: 1.65 · 1.6500 (estimate)
貯蔵温度: -20 °C · Store at -20°C
溶解性: 9.84 · DMSO:9.84(Max Conc. mg/mL);24.88(Max Conc. mM)DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.26(Max Conc. mM)DMF:3.0(Max Conc. mg/mL);7.59(Max Conc. mM)
外見: A crystalline solid
酸解離定数(Pka): 2.86 · 2.86(at 25℃)
色: White to off-white

安全と法規制

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

薬理情報

MeSH Pharmacological Classification · 5 件

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).

Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.

Cellular LocationsMembrane

応用分野 · 2 件

説明Vesnarinone is a new orally-active positive inotropic agent introduced for the treatment of congestive heart failure. It exerts a positive inotropic effect on the heart and has a peripheral vasodilatory effect. Vesnarinone is claimed not to affect heart rate or aggravate arrhythmia.

使用Cardiotonic.