CAS Number133865-89-1
Synonyms(S)-(+)-2-[4-(3-fluorobenzyloxy)benzylamino]-propanamide; (2S)-2-[4-(3-fluorobenzyloxy)benzylamino]propionamide; Safinamide; N-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide; (2S)-2-[[[4-[(3-Fluorophenyl)methoxy]phenyl]methyl]amino]propanamide; (S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propionamide; ZVY1&M1R DO1R CF &&L or S Form
Molecular FormulaC17H19O2N2F1
Molecular Weight302.35
Purity98.00%
Density1.2±0.1 g/cm3
Boiling Point476.7±40.0 °C at 760 mmHg
Melting Point208-212°
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 133865-89-1 |
| Catalog No. | 2A-9052312 |
| Chinese Name | 沙芬酰胺 |
| Synonyms | (S)-(+)-2-[4-(3-fluorobenzyloxy)benzylamino]-propanamide; (2S)-2-[4-(3-fluorobenzyloxy)benzylamino]propionamide; Safinamide; N-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alaninamide; (2S)-2-[[[4-[(3-Fluorophenyl)methoxy]phenyl]methyl]amino]propanamide; (S)-2-[[4-[(3-Fluorobenzyl)oxy]benzyl]amino]propionamide; ZVY1&M1R DO1R CF &&L or S Form |
| Molecular Formula | C17H19O2N2F1 |
| Molecular Weight | 302.35 |
| Purity | 98.00 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 476.7±40.0 °C at 760 mmHg |
| Melting Point | 208-212° |
| Storage Condition | 2~8℃, dry, sealed |
| Application | Safinamide (EMD 1195686; FCE 26743) is a reversible MAO-B inhibitor with an IC50 of 98 nM and is 5918 times more potent than MAO-A. |
| MDL Number | MFCD00897036 |
| SMILES | CC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |
| InChI | InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m1/s1 |
| InChI Key | NEMGRZFTLSKBAP-LBPRGKRZSA-N |
| MSDS | msds/52312_1_133865_89_1.pdf |
| Bioactivity | Safinamide (EMD 1195686; FCE 26743) selectively and reversibly inhibits MAO-B with IC50 of 98 nM, exhibits 5918-fold selectivity against MAO-A.IC50 value: 98 nM [1]Target: MAO-BSafinamide (EMD 1195686; FCE 26743; ) is a highly selective and reversible monoamine oxidase type B (MAO-B) inhibitor that increases neostriatal dopamine concentration. In addition, Safinamide (EMD 1195686; FCE 26743; ) is voltage-dependent sodium and calcium channel blocker. Safinamide (EMD 1195686; FCE 26743; ) appears to bind to the batrachotoxin-sensitive site 2 of the voltage-sensitive sodium channels. Safinamide blocks N and L-type calcium channels and inhibits glutamate and aspartate release from synaptic terminals. Related Catalog Signaling Pathways >> Neuronal Signaling >> Monoamine Oxidase Research Areas >> Neurological Disease 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]. Schapira AH. Safinamide in the treatment of Parkinson's disease. Expert Opin Pharmacother. 2010 Sep;11(13):2261-8. [3]. Onofrj M, et al. An expert opinion on safinamide in Parkinson's disease. Expert Opin Investig Drugs. 2008 Jul;17(7):1115-25. [4]. Chazot PL. Safinamide for the treatment of Parkinson's disease, epilepsy and restless legs syndrome. Curr Opin Investig Drugs. 2007 Jul;8(7):570-9. [5]. Dal Bo L, et al. Bioassay of safinamide in biological fluids of humans and various animal species. Arzneimittelforschung. 2006;56(12):814-9. http://www.ncbi.nlm.nih.gov/pubmed/17260668 Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 476.7±40.0 °C at 760 mmHg Melting Point 208-212° Molecular Formula C17H19FN2O2 Molecular Weight 302.343 Flash Point 242.1±27.3 °C Exact Mass 302.143066 PSA 64.35000 LogP 2.37 Vapour Pressure 0.0±1.2 mmHg at 25°C Index of Refraction 1.570 InChIKey NEMGRZFTLSKBAP-LBPRGKRZSA-N SMILES CC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |
| Use of | Safinamide (EMD 1195686; FCE 26743) selectively and reversibly inhibits MAO-B with IC50 of 98 nM, exhibits 5918-fold selectivity against MAO-A.IC50 value: 98 nM [1]Target: MAO-BSafinamide (EMD 1195686; FCE 26743; ) is a highly selective and reversible monoamine oxidase type B (MAO-B) inhibitor that increases neostriatal dopamine concentration. In addition, Safinamide (EMD 1195686; FCE 26743; ) is voltage-dependent sodium and calcium channel blocker. Safinamide (EMD 1195686; FCE 26743; ) appears to bind to the batrachotoxin-sensitive site 2 of the voltage-sensitive sodium channels. Safinamide blocks N and L-type calcium channels and inhibits glutamate and aspartate release from synaptic terminals. Properties Name (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide Synonym More Synonyms Safinamide Biological Activity Description Safinamide (EMD 1195686; FCE 26743) selectively and reversibly inhibits MAO-B with IC50 of 98 nM, exhibits 5918-fold selectivity against MAO-A.IC50 value: 98 nM [1]Target: MAO-BSafinamide (EMD 1195686; FCE 26743; ) is a highly selective and reversible monoamine oxidase type B (MAO-B) inhibitor that increases neostriatal dopamine concentration. In addition, Safinamide (EMD 1195686; FCE 26743; ) is voltage-dependent sodium and calcium channel blocker. Safinamide (EMD 1195686; FCE 26743; ) appears to bind to the batrachotoxin-sensitive site 2 of the voltage-sensitive sodium channels. Safinamide blocks N and L-type calcium channels and inhibits glutamate and aspartate release from synaptic terminals. Related Catalog Signaling Pathways >> Neuronal Signaling >> Monoamine Oxidase Research Areas >> Neurological Disease References [2]. Schapira AH. Safinamide in the treatment of Parkinson's disease. Expert Opin Pharmacother. 2010 Sep;11(13):2261-8. [3]. Onofrj M, et al. An expert opinion on safinamide in Parkinson's disease. Expert Opin Investig Drugs. 2008 Jul;17(7):1115-25. [4]. Chazot PL. Safinamide for the treatment of Parkinson's disease, epilepsy and restless legs syndrome. Curr Opin Investig Drugs. 2007 Jul;8(7):570-9. [5]. Dal Bo L, et al. Bioassay of safinamide in biological fluids of humans and various animal species. Arzneimittelforschung. 2006;56(12):814-9. http://www.ncbi.nlm.nih.gov/pubmed/17260668 Chemical & Physical Properties Molecular Formula C17H19FN2O2 Exact Mass 302.143066 PSA 64.35000 Index of Refraction 1.570 InChIKey NEMGRZFTLSKBAP-LBPRGKRZSA-N |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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