Safinamide Mesylate - ≥98%(HPLC) , Monoamine oxidase B inhibitor, CAS No.202825-46-5, Monoamine oxidase B inhibitor

CAS: 202825-46-5 Cat. No.: S129877 Molecular Weight: 398.45 EC Number: 606-485-0 PubChem CID: 3038502

GRADE & PURITY ≥98%(HPLC)

Synonyms

AS-75602 | NW-1015 | PNU 151774E | 202825-46-5 (mesylate) | J-013174 | Safinamide (mesylate) | Safinamide mesilate | D10191 | HMS3884O17 | PNU-151774E,FCE28073 | Fce 28073 | Fce-26743 | Safinamide mesilate (JAN) | Equfina (TN) | SW219452-1 | Safinamide me

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Safinamide Mesylate is mesylate salt of Safinamide, selectively and reversibly inhibits MAO-B with IC50 of 98 nM, exhibits 5918-fold selectivity against MAO-A.
A potent and selective MAO-B inhibitor.

Specifications

Synonyms

AS-75602 | NW-1015 | PNU 151774E | 202825-46-5 (mesylate) | J-013174 | Safinamide (mesylate) | Safinamide mesilate | D10191 | HMS3884O17 | PNU-151774E, FCE28073 | Fce 28073 | Fce-26743 | Safinamide mesilate (JAN) | Equfina (TN) | SW219452-1 | Safinamide me

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Safinamide is a dopamine reuptake inhibitor by being a highly selective inhibitor of MAO-B (IC50 = 98 nM. Additionally, this compound has a high affinity for Na+ channels (IC50 = 8 μM.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

INHIBITOR

Mechanism of action

Monoamine oxidase B inhibitor

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488194228
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194228
• Canonical Smiles: CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O
• IUPAC Name: (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
• InChIKey: YKOCHIUQOBQIAC-YDALLXLXSA-N
• INCHI: 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-;/m0./s1
• Isomeric SMILES: C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O
• WGK Germany: 3
• PubChem CID: 3038502
• Molecular Weight: 398.45

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 Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Alkyl aryl ethers Aralkylamines Fluorobenzenes Aryl fluorides Sulfonyls Alkanesulfonic acids Organosulfonic acids Methanesulfonates Primary carboxylic acid amides Dialkylamines Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Alpha-amino acid amide - Alanine or derivatives - Phenol ether - Phenylmethylamine - Benzylamine - Phenoxy compound - Aralkylamine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Primary carboxylic acid amide - Carboxamide group - Ether - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organohalogen 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(non-human)

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Scn2a Sodium channel alpha subunits; brain (Types I, II, III) (344 Activities)

Discover Target: Scn2a

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 80 mg/mL Water 80 mg/mL Ethanol 13 mg/mL
• Molecular Weight: 398.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 398.131 Da
• Monoisotopic Mass: 398.131 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 438.000
• 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: 2

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