Nebicapone - Moligand™,≥99% , Catechol O-methyltransferase inhibitor, CAS No.274925-86-9, Catechol O-methyltransferase inhibitor

CAS: 274925-86-9 Cat. No.: N651551 Summenformel: C₁₄H₁₁NO₅ Molekulargewicht: 273.24 PubChem CID: 9838389

GRADE & PURITY Moligand™, ≥99%

Synonyms

Ethanone, 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl- | BIA 3-202 | 1-(3,4-dihydroxy-5-nitro-phenyl)-2-phenyl-ethanone | Q21547145 | SCHEMBL132167 | NM2KXJ990T | DTXSID30181912 | 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone | BDBM50108878 | 3-NITRO-5-PH

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Nebicapone (BIA 3-202), a reversible catechol-O-methyltransferase (COMT) inhibitor, is mainly metabolized by glucuronidation. Nebicapone is mainly peripherally acting inhibitor that decreases the biotransformation of L-DOPA to 3-O-methyl-DOPA by inhibition of COMT , and it is potential for the treatment of Parkinson's disease.

Form:Solid

Specifications

Synonyme

Ethanone, 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl- | BIA 3-202 | 1-(3,4-dihydroxy-5-nitro-phenyl)-2-phenyl-ethanone | Q21547145 | SCHEMBL132167 | NM2KXJ990T | DTXSID30181912 | 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone | BDBM50108878 | 3-NITRO-5-PH

Spezifikationen & Reinheit

Moligand™,≥99%

Biochemische und physiologische Mechanismen

Nebicapone (BIA 3-202), a reversible catechol-O-methyltransferase (COMT) inhibitor, is mainly metabolized by glucuronidation. Nebicapone is mainly peripherally acting inhibitor that decreases the biotransformation of L-DOPA to 3-O-methyl-DOPA by inhibitio

Storage

Protected from light,Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Catechol O-methyltransferase inhibitor

Reinheit

≥99%

Produkteigenschaften

• ALogP: 2.9

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
• IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone
• InChIKey: MRFOLGFFTUGAEB-UHFFFAOYSA-N
• INCHI: 1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2
• Isomere SMILES: C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
• Alternative CAS-Nummer: 274925-86-9
• PubChem CID: 9838389
• MeSH-Eintrag: 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone;BIA 3-202;nebicapone
• Molekulargewicht: 273.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Nitrophenols Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Catechols Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Nitrophenol - Nitrobenzene - Phenylketone - Aryl ketone - Aryl alkyl ketone - Nitroaromatic compound - Benzoyl - Catechol - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Zugehörige Ziele (menschlich)

COMT Tclin Catechol O-methyltransferase (404 Activities)

Discover Target: COMT

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 100 mg/mL (365.98 mM)
• Molekulargewicht: 273.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 273.064 Da
• Monoisotopic Mass: 273.064 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 361.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 ?20 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 274925-86-9, the molecular formula is C14H11NO5, and the molecular weight is 273.24 g/mol. InChIKey MRFOLGFFTUGAEB-UHFFFAOYSA-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.