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(S)-2-((4-((3-FLUOROBENZYL)OXY)BENZYL)AMINO)PROPANAMIDE METHANESULFONATE structure, CAS 202825-46-5

(S)-2-((4-((3-FLUOROBENZYL)OXY)BENZYL)AMINO)PROPANAMIDE METHANESULFONATE

CAS Number202825-46-5

Synonyms(S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propanamide; N-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (1:1); Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-, methanesulfonate (1:1); (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide,methanesulfonic acid; PNU-151774E,NW-1015; Safinamide mesylate; (S)-2-(4-(3-fluorobenzyloxy)benzylamino)propanamide,methanesulfonate; (S)-(+)-2-[[4-(3-Fluorobenzoxy)benzyl]amino]propanamide; FCE-28073(R-isomer),PNU-151774E,NW-1015

Molecular FormulaC17H19O2N2F1

Molecular Weight302.35

Purity96+%

Density

Boiling Point476.7ºC at 760 mmHg

Melting Point210° (dec)

Flash Point

Appearance

EINECS0

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Cat. No.: 2A-0100998 Purity: 96+%
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Quality Control of [ 202825-46-5 ] Purity: 96+% SDS Specification MoL

Chemical & Physical Properties
CAS Number202825-46-5
Catalog No.2A-0100998
Chinese Name沙芬酰胺甲磺酸盐
Synonyms(S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propanamide; N-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide methanesulfonate (1:1); Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-, methanesulfonate (1:1); (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide,methanesulfonic acid; PNU-151774E,NW-1015; Safinamide mesylate; (S)-2-(4-(3-fluorobenzyloxy)benzylamino)propanamide,methanesulfonate; (S)-(+)-2-[[4-(3-Fluorobenzoxy)benzyl]amino]propanamide; FCE-28073(R-isomer),PNU-151774E,NW-1015
Molecular FormulaC17H19O2N2F1
Molecular Weight302.35
Purity96+
Boiling Point476.7ºC at 760 mmHg
Melting Point210° (dec)
Storage Condition2~8℃, dry, sealed
ApplicationSafinamide mesylate is a potent, selective, reversible inhibitor of monoamine oxidase B (MAO-B) (IC50=0.098 µM) and less selective for MAO-A (IC50=580 µM). Safinamide mesylate also blocks sodium chann
EINECS0
HTC2924299090
UN(IATA)0
MDL NumberMFCD00897036
SMILESCC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O.CS(=O)(=O)O
InChIInChI=1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m1./s1
InChI KeyYKOCHIUQOBQIAC-YDALLXLXSA-N
Hazard Symbolstransportation
MSDSmsds/100998_1_202825_46_5.pdf
BioactivitySafinamide mesylate mesylate (FCE 26743 mesylate; EMD 1195686 mesylate) is a potent, selective, and reversible monoamine oxidase B (MAO-B) inhibitor (IC50=0.098 µM) over MAO-A (IC50=580 µM)[1]. Safinamide mesylate also blocks sodium channels and modulates glutamate (Glu) release, showing a greater affinity at depolarized (IC50=8 µM) than at resting (IC50=262 µM) potentials. Safinamide mesylate has neuroprotective and neurorescuing effects and can be used for the study of parkinson disease, ischemia stroke etc.al[2][3]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Neuronal Signaling >> Monoamine Oxidase Research Areas >> Neurological Disease Target MAO-B:98 nM (IC50) MAO-A:580 nM (IC50) In Vitro Safinamide mesylate (1-300 µM) reduces the amplitude of the peak sodium currents in a concentration-dependent manner. When currents are stimulated to a Vtest of +10 mV from a Vh of -110 mV, the IC50 value was 262 µM. When the holding potential is depolarized to -53 mV, the inhibitory effect of Safinamide mesylate with a lower IC50 value (8 µM) in rat cortical neurons[1]. In Vivo Safinamide mesylate (intraperitoneal injection; 90 mg/kg; once daily; 14 days) treatment prior to MCAO significantly ameliorates MCAO-caused cerebral infarction volume, neurological deficit, disruption of the brain-blood barrier (BBB), and impairs expression of tight junction protein occludin and ZO-1 in mice[3]. Safinamide mesylate (intraperitoneal injection; 5 mg/kg, 15 mg/kg and 30 mg/kg) dose dependently inhibits the veratridine-induced GABA release and Glu release in vivo. At the dose 30 mg/kg, Safinamide mesylate prevents the effect of veratridine both on Glu (treatment F1,8=1.31; time×treatment interaction F8,64=2.4) and GABA (treatment F1,8=4.04; time F8,64=3.76, time×treatment interaction F8,64=2.83) release. Safinamide mesylate causes a slight, albeit not significant, reduction of veratridine-stimulated Glu release at 0.5 mg/kg and full inhibition at 5 and 15 mg/kg in rat[3]. References [1]. Leonetti F, et al. Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase. J Med Chem, 2007, 50(20), 4909-4916. [2]. C Caccia, et al.Safinamide: from molecular targets to a new anti-Parkinson drug. Neurology. 2006 Oct 10;67(7 Suppl 2):S18-23. [3]. Michele Morari, et al. Safinamide Differentially Modulates In Vivo Glutamate and GABA Release in the Rat Hippocampus and Basal Ganglia.J Pharmacol Exp Ther. 2018 Feb;364(2):198-206. Chemical & Physical Properties Boiling Point 476.7ºC at 760 mmHg Melting Point 210° (dec) Molecular Formula C18H23FN2O5S Molecular Weight 398.449 Flash Point 242.1ºC Exact Mass 398.131165 PSA 127.10000 LogP 4.04410 Vapour Pressure 2.98E-09mmHg at 25°C InChIKey YKOCHIUQOBQIAC-YDALLXLXSA-N SMILES CC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O.CS(=O)(=O)O
Use ofProperties Name Safinamide mesylate salt Synonym More Synonyms Safinamide Mesylate Biological Activity Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Neuronal Signaling >> Monoamine Oxidase Research Areas >> Neurological Disease MAO-B:98 nM (IC50) MAO-A:580 nM (IC50) References [2]. C Caccia, et al.Safinamide: from molecular targets to a new anti-Parkinson drug. Neurology. 2006 Oct 10;67(7 Suppl 2):S18-23. [3]. Michele Morari, et al. Safinamide Differentially Modulates In Vivo Glutamate and GABA Release in the Rat Hippocampus and Basal Ganglia.J Pharmacol Exp Ther. 2018 Feb;364(2):198-206. Chemical & Physical Properties Molecular Formula C18H23FN2O5S Exact Mass 398.131165 PSA 127.10000 LogP 4.04410 InChIKey YKOCHIUQOBQIAC-YDALLXLXSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (Safinamide mesylate salt) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (Safinamide mesylate salt) International air transport hazard regulations: Toxic solid, organic, n.o.s. (Safinamide mesylate salt) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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