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Ipratropium bromide monohydrate structure, CAS 66985-17-9

Ipratropium bromide monohydrate

CAS Number66985-17-9

SynonymsIpratropium Bromide Monohydrate

Molecular FormulaC20H32BrNO3

Molecular Weight414.377

Purity98.00%

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Appearancewhite

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Cat. No.: 2A-9046497 Purity: 98.00%
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Quality Control of [ 66985-17-9 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number66985-17-9
Catalog No.2A-9046497
Chinese Name异丙托溴铵
SynonymsIpratropium Bromide Monohydrate
Molecular FormulaC20H32BrNO3
Molecular Weight414.377
Purity98.00
Appearancewhite
Water SolubilityH2O: soluble10mg/mL
Storage Conditionroom temperature, dry
ApplicationIpratropium bromide hydrate (Sch 1000) is a muscarinic receptor antagonist with IC50s of 2.9 nM, 2 nM and 1.7 nM for M1, M2 and M3 receptors respectively. Hydrated ipratropium bromide can relax smooth
HTC2933990090
PubChem ID7849272
SMILESCC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O.[Br-]
InChIInChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18?,19?,21?;;
InChI KeyKEWHKYJURDBRMN-UHFFFAOYSA-M
BioactivityIpratropium bromide (Sch 1000) hydrate is a muscarinic receptor antagonist, with IC50s of 2.9 nM, 2 nM, and 1.7 nM for M1, M2, and M3 receptors, respectively. Ipratropium bromide hydrate relaxes smooth muscle, can be used in the research for COPD (chronic obstructive pulmonary disease) and asthma[1][2][3][4][5]. Related Catalog Signaling Pathways >> Neuronal Signaling >> mAChR Signaling Pathways >> GPCR/G Protein >> mAChR Research Areas >> Inflammation/Immunology Research Areas >> Neurological Disease Target muscarinic M1 receptor:2.9 nM (IC50) muscarinic M2 receptor:2 nM (IC50) muscarinic M3 receptor:1.7 nM (IC50) In Vitro Ipratropium bromide hydrate (1 nM, 10 nM, 100 nM; 15 min) exerts its toxic effects via disruption of mitochondrial membrane potential[1]. Ipratropium bromide hydrate (1 nM-1 μM; 4 h) increases infarct size in isolated perfused heart ischaemia/reperfusion experiments with a dose-responsive manner (EC50=22.7 nM)[1]. Ipratropium bromide hydrate (0.001 nM-0.1 mM; 2 h) inhibits adult rat cardiac myocyte growth after 4 h hypoxia treatment[1]. Cell Viability Assay[1] Cell Line: Adult Rat Cardiac Myocyte Concentration: 0.001 nM-0.1 mM Incubation Time: 2 h in dark; prior to 4 h hypoxia Result: Resulted cell viability in a dose-dependent manner, with the inhibition rate of 52.7% at 0.1 mM dose. In Vivo Ipratropium bromide hydrate (1.0 μg/kg; i.v.; single dose) enhances vagal nerve stimulation induing bronchoconstriction[2]. Ipratropium bromide hydrate (0.04 mg/20 mL and 0.20 mg/20 mL; inhalation for 30 min, rate=30 mL/30 min) can protect the lungs against the cadmium-induced acute neutrophilic inflammation by reducing the parenchyma inflammatory infiltration of neutrophils[4]. Animal Model: Guinea-pigs of the Dunkin Hartley strain[2] Dosage: 0.1-1 μg/kg Administration: Intravenous injection; single dose Result: Resulted little blocking effect on post-junctional muscarinic receptors at 0.3 μg/kg, and inhibited ACh-induced bronchoconstriction at 0.5 μg/kg. Animal Model: Male Sprague-Dawley rats (300-350 g)[4] Dosage: 0.04 mg/20 mL and 0.20 mg/20 mL Administration: Inhalation; atomization rate of 30 mL/30 min; 30 min Result: Had no significant effects on any parameters recorded in healthy rats but exerted a protective effect against the inflammatory reaction elicited by cadmium. References [1]. Fryer AD, et al. Maclagan, Ipratropium bromide potentiates bronchoconstriction induced by vagal nerve stimulation in the guinea-pig. Eur J Pharmacol, 1987. 139(2): p. 187-91. [2]. Harvey, et al. Maddock, Ipratropium Bromide-Mediated Myocardial Injury in In Vitro Models of Myocardial Ischaemia/Reperfusion. Toxicol Sci, 2014. [3]. Maria Prat, et al. Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinyl amides as potent and long acting muscarinic antagonists. Bioorg Med Chem Lett. 2015 Apr 15;25(8):1736-1741. [4]. Wenhui Zhang, et al. Anti-inflammatory effects of formoterol and ipratropium bromide against acute cadmium-induced pulmonary inflammation in rats. Eur J Pharmacol. 2010 Feb 25;628(1-3):171-8. [5]. Venkatasamy R, et al. Novel relaxant effects of RPL554 on guinea pig tracheal smooth muscle contractility. Br J Pharmacol. 2016 Aug;173(15):2335-51. Chemical & Physical Properties Molecular Formula C20H32BrNO3 Molecular Weight 414.377 Exact Mass 413.156555 PSA 46.53000 LogP 0.02610 Appearance of Characters white InChIKey KEWHKYJURDBRMN-UHFFFAOYSA-M SMILES CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O.[Br-] Water Solubility H2O: soluble10mg/mL
Use ofIpratropium bromide (Sch 1000) hydrate is a muscarinic receptor antagonist, with IC50s of 2.9 nM, 2 nM, and 1.7 nM for M1, M2, and M3 receptors, respectively. Ipratropium bromide hydrate relaxes smooth muscle, can be used in the research for COPD (chronic obstructive pulmonary disease) and asthma[1][2][3][4][5]. Properties Name ipratropium bromide hydrate Synonym More Synonyms Biological Activity Description Ipratropium bromide (Sch 1000) hydrate is a muscarinic receptor antagonist, with IC50s of 2.9 nM, 2 nM, and 1.7 nM for M1, M2, and M3 receptors, respectively. Ipratropium bromide hydrate relaxes smooth muscle, can be used in the research for COPD (chronic obstructive pulmonary disease) and asthma[1][2][3][4][5]. Related Catalog Signaling Pathways >> Neuronal Signaling >> mAChR Signaling Pathways >> GPCR/G Protein >> mAChR Research Areas >> Inflammation/Immunology Research Areas >> Neurological Disease muscarinic M1 receptor:2.9 nM (IC50) muscarinic M2 receptor:2 nM (IC50) muscarinic M3 receptor:1.7 nM (IC50) References [1]. Fryer AD, et al. Maclagan, Ipratropium bromide potentiates bronchoconstriction induced by vagal nerve stimulation in the guinea-pig. Eur J Pharmacol, 1987. 139(2): p. 187-91. [2]. Harvey, et al. Maddock, Ipratropium Bromide-Mediated Myocardial Injury in In Vitro Models of Myocardial Ischaemia/Reperfusion. Toxicol Sci, 2014. [3]. Maria Prat, et al. Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinyl amides as potent and long acting muscarinic antagonists. Bioorg Med Chem Lett. 2015 Apr 15;25(8):1736-1741. [4]. Wenhui Zhang, et al. Anti-inflammatory effects of formoterol and ipratropium bromide against acute cadmium-induced pulmonary inflammation in rats. Eur J Pharmacol. 2010 Feb 25;628(1-3):171-8. [5]. Venkatasamy R, et al. Novel relaxant effects of RPL554 on guinea pig tracheal smooth muscle contractility. Br J Pharmacol. 2016 Aug;173(15):2335-51. Chemical & Physical Properties Molecular Formula C20H32BrNO3 Exact Mass 413.156555 PSA 46.53000 LogP 0.02610 Appearance of Characters white InChIKey KEWHKYJURDBRMN-UHFFFAOYSA-M
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
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