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

CAS: 133865-89-1 Cat. No.: S125282 Formula: C₁₇H₁₉FN₂O₂ Peso molecolare: 302.34 Numero EC: 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Monoamine oxidase B inhibitor

Purezza

≥98%

Proprietà del prodotto

ALogP

2.2

Nomi e identificatori

Pubchem Sid

504757009

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757009

Sorrisi canonici

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

Isomeri SMILES

C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F

PubChem CID

131682

Peso molecolare

302.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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)

Proprietà chimiche e fisiche

• Solubilità: DMSO
• Sensibilità: heat sensitive
• Punto di fusione (°C): 212°C
• Peso molecolare: 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