Safinamide - Moligand™, ≥98% , Monoamine oxidase B inhibitor, CAS No.133865-89-1, Monoamine oxidase B inhibitor

CAS: 133865-89-1 Cat. No.: S125282 Molecular Weight: 302.34 EC Number: 603-772-2 PubChem CID: 131682

GRADE & PURITY Moligand™, ≥98%

Synonyms

DTXCID701436700 | CHEBI:134718 | D10158 | (S)-2[4-(3-fluorobenzyloxy)benzylamino] propanamide | BDBM50078694 | Q2211523 | SAFINAMIDE [INN] | 2(S)-[4-(3-Fluorobenzyloxy) benzylamino] propionamide | NEMGRZFTLSKBAP-LBPRGKRZSA-N | EMD 1195686;FCE 26743;EMD-11

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Safinamide (EMD 1195686; FCE 26743) selectively and reversibly inhibits MAO-B with IC50 of 98 nM, exhibits 5918-fold selectivity against MAO-A.

Specifications

Synonyms

DTXCID701436700 | CHEBI:134718 | D10158 | (S)-2[4-(3-fluorobenzyloxy)benzylamino] propanamide | BDBM50078694 | Q2211523 | SAFINAMIDE [INN] | 2(S)-[4-(3-Fluorobenzyloxy) benzylamino] propionamide | NEMGRZFTLSKBAP-LBPRGKRZSA-N | EMD 1195686;FCE 26743;EMD-11

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Safinamide is a highly selective and reversible monoamine oxidase type B (MAO-B) inhibitor that increases neostriatal dopamine concentration. In addition, Safinamide is voltage-dependent sodium and calcium channel blocker. Safinamide appears to bind to th

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Monoamine oxidase B inhibitor

Purity

≥98%

Product Properties

• ALogP: 2.2

Names and Identifiers

• Pubchem Sid: 504757009
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757009
• Canonical Smiles: CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
• IUPAC Name: (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
• InChIKey: NEMGRZFTLSKBAP-LBPRGKRZSA-N
• 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-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
• PubChem CID: 131682
• Molecular Weight: 302.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Alanine and derivatives Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Fluorobenzenes Alkyl aryl ethers Aralkylamines Aryl fluorides Primary carboxylic acid amides Dialkylamines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Alanine or derivatives - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Primary carboxylic acid amide - Carboxamide group - Secondary amine - Secondary aliphatic amine - Ether - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organofluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MAOB Tclin Amine oxidase [flavin-containing] B (44 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: DMSO
• Sensitivity: heat sensitive
• Melt Point(°C): 212°C
• Molecular Weight: 302.340 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 302.143 Da
• Monoisotopic Mass: 302.143 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 346.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yi-Kao Hu, Yi-Ming Liu, Xiao-Lin Bai, Chao Ma, Xun Liao.  (2022)  Screening of Monoamine Oxidase B Inhibitors from Fragaria nubicola by Ligand Fishing and Their Neuroprotective Effects.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36562659] [10.1021/acs.jafc.2c06630]

2. Yi-Kao Hu, Ayzohra Ablat, Xiao-Lin Bai, Xiang Yin, Chao Ma, Xun Liao.  (2025)  Phenolamides from Rootstocks of Lycium ruthenicum Murr by Ligand Fishing and Their Neuroprotective Effects.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:40168528] [10.1021/acs.jafc.4c11099]