befloxatone - Moligand™ , Inhibitor of Monoamine oxidase A, CAS No.134564-82-2, Inhibitor of Monoamine oxidase A

CAS: 134564-82-2 Cat. No.: B607977 PubChem CID: 60824

GRADE & PURITY Moligand™

Synonyms

2-Oxazolidinone, 5-(methoxymethyl)-3-(4-(4,4,4-trifluoro-3-hydroxybutoxy)phenyl)-, (R,(R*,R*))- | MD-370,503 | Q4880243 | BEFLOXATONE [MART.] | UNII-4H75PAD8M3 | D02563 | Befloxatone [INN] | BEFLOXATONE [WHO-DD] | GTPL6637 | MD370503 | MD-370503 | IALVDLP

Storage

Room temperature

Specifications

Synonyms

2-Oxazolidinone, 5-(methoxymethyl)-3-(4-(4,4,4-trifluoro-3-hydroxybutoxy)phenyl)-, (R,(R*,R*))- | MD-370,503 | Q4880243 | BEFLOXATONE [MART.] | UNII-4H75PAD8M3 | D02563 | Befloxatone [INN] | BEFLOXATONE [WHO-DD] | GTPL6637 | MD370503 | MD-370503 | IALVDLP

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Monoamine oxidase A

Names and Identifiers

• Canonical Smiles: COCC1CN(C(=O)O1)C2=CC=C(C=C2)OCCC(C(F)(F)F)O
• IUPAC Name: (5R)-5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one
• InChIKey: IALVDLPLCLFBCF-CHWSQXEVSA-N
• INCHI: 1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1
• Isomeric SMILES: COC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)OCC[C@H](C(F)(F)F)O
• Alternate CAS: 134564-82-2
• PubChem CID: 60824
• MeSH Entry Terms: befloxatone;MD 370,503;MD 370503;MD-370,503;MD-370503;MD370503

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Oxazolidinones Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Fluorohydrins Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Oxazolidinone - Oxazolidine - Carbamic acid ester - Fluorohydrin - Halohydrin - Carbonic acid derivative - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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)

MAOA Tclin Amine oxidase [flavin-containing] A (0 Activities)

Discover Target: MAOA

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 349.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 349.114 Da
• Monoisotopic Mass: 349.114 Da
• Topological Polar Surface Area: 68.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 412.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Frequently Asked Questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 134564-82-2. InChIKey IALVDLPLCLFBCF-CHWSQXEVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.