Vesnarinone

HCID 5663CAS 81840-15-5

기본 정보

표준 SMILES: COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC
InChIKey: ZVNYJIZDIRKMBF-UHFFFAOYSA-N
분자식: C22H25N3O4
평균 분자량: 395.5 g/mol
단동위원소 질량: 395.18450629

이름 및 식별자

우선 이름: Vesnarinone
IUPAC: 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
영어명: VESNARINONE
분자식: C22H25N3O4
분자량: 395.45

이름 및 동의어

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

이름 더 보기

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)

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 71.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 29
형식 전하: 0
복잡도: 593

물리화학적 성질

녹는점: 238.1 · 238.1-239.5° (Tominaga); mp 238.1-239.8° (Shimizu)
끓는 점: 519.41 °C · 519.41°C (rough estimate)
밀도: 1.2414 · 1.2414 (rough estimate)
굴절률: 1.65 · 1.6500 (estimate)
저장 조건: -20 °C · Store at -20°C
용해도: 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)
물리적 상태: 결정성 고체
산도 계수 (pKa): 2.86 · 2.86(at 25℃)
색상: White to off-white

안전 및 규제

안전 데이터

기존화학 물질: KE-10616

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 5건

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

응용 분야 · 2건

개요Vesnarinone 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.

용도Cardiotonic.