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Nebivolol hydrochloride structure, CAS 152520-56-4

Nebivolol hydrochloride

CAS Number152520-56-4

Synonyms(S,R,R,R)-nebivolol hydrochloride; Nebivolol hydrochloride

Molecular FormulaC22H26ClF2NO4

Molecular Weight441.90

Purity

Density

Boiling Point600.5ºC at 760 mmHg

Melting Point220-222ºC

Flash Point

AppearanceWhite to off-white powder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9060362 Purity:
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Quality Control of [ 152520-56-4 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number152520-56-4
Catalog No.2A-9060362
Chinese Name盐酸奈必洛尔
Synonyms(S,R,R,R)-nebivolol hydrochloride; Nebivolol hydrochloride
Molecular FormulaC22H26ClF2NO4
Molecular Weight441.90
Boiling Point600.5ºC at 760 mmHg
Melting Point220-222ºC
AppearanceWhite to off-white powder
Water SolubilityDMSO: ≥20mg/mL
Storage ConditionDesiccate at RT
ApplicationNebivolol hydrochloride is a selective inhibitor of β1-adrenergic receptors with an IC50 of 0.8 nM.
HTC2932999099
MDL NumberMFCD28168034
SMILESCl.O[C@@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]3CCc4cc(F)ccc4O3
InChI1S/C22H25F2NO4.ClH/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22;/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2;1H/t17-,18-,21-,22+;/m0./s1
InChI KeyJWEXHQAEWHKGCW-BIISKSHESA-N
NACRES CodeNA.24
UNSPSC41116107
MSDSmsds/60362_1_152520_56_4.pdf
BioactivityNebivolol hydrochloride selectively inhibits β1- adrenergic receptor with IC50 of 0.8 nM.Target: β1- adrenergic receptorNebivolol reduces cell proliferation of human coronary smooth muscle cells (haCSMCs) and endothelial cells (haECs) in a concentration- and time-dependent maner. Nebivolol treatment for 7 days causes significant reduction in cell growth of haCSMCs with IC50 of 6.1 μM, and inhibits accelerated haCSMC proliferation stimulated by growth factors PDGF-BB, bFGF, and TGFβ with IC50 values of 6.8 μM, 6.4 μM and 7.7 μM, repectively. Nebivolol treatment (10-5 M) of haCSMCs for 48 hours induces a moderate apoptosis of 23% and a decrease from 16% to 5% in the number of cells in S-phase. During Nebivolol incubation, NO formation of HaCEs increases, while endothelin-1 transcription and secretion are suppressed.Administratiion of Nebivolol (initially by iv within 10 minutes of reperfusion and then orally) to rats with myocardial infarction (MI) reduces myocardial apoptosis, which is mediated by regulation of NO . Nebivolol, significantly, prevents left ventricular (LV) pressure changes, reduces total and regional apoptotic cardiomyocytes. Nebivolol treatment lowers mean blood pressure (MBP) in rats with MI slightly, but not significantly. Related Catalog Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor Research Areas >> Cardiovascular Disease References [1]. Brehm BR, et al. Effects of nebivolol on proliferation and apoptosis of human coronary artery smooth muscle and endothelial cells. Cardiovasc Res. 2001 Feb 1;49(2):430-9. [2]. Mercanoglu G, et al. The effects of nebivolol on apoptosis in a rat infarct model. Circ J. 2008 Apr;72(4):660-70. Chemical & Physical Properties Boiling Point 600.5ºC at 760 mmHg Melting Point 220-222ºC Molecular Formula C22H26ClF2NO4 Molecular Weight 441.896 Flash Point 316.9ºC Exact Mass 441.151855 PSA 70.95000 LogP 3.55650 Vapour Pressure 2.88E-15mmHg at 25°C InChIKey JWEXHQAEWHKGCW-UHFFFAOYSA-N SMILES Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1 Storage condition Desiccate at RT Water Solubility DMSO: ≥20mg/mL
Use ofProperties Name Nebivolol Hydrochloride Synonym More Synonyms Nebivolol hydrochloride Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor Research Areas >> Cardiovascular Disease References [1]. Brehm BR, et al. Effects of nebivolol on proliferation and apoptosis of human coronary artery smooth muscle and endothelial cells. Cardiovasc Res. 2001 Feb 1;49(2):430-9. [2]. Mercanoglu G, et al. The effects of nebivolol on apoptosis in a rat infarct model. Circ J. 2008 Apr;72(4):660-70. Chemical & Physical Properties Exact Mass 441.151855 PSA 70.95000 LogP 3.55650 InChIKey JWEXHQAEWHKGCW-UHFFFAOYSA-N Storage condition Desiccate at RT
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified Nebivolol hydrochloride
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