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

CAS: 274925-86-9 Cat. No.: N651551 Fórmula: C₁₄H₁₁NO₅ Peso molecular: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

Moligand™,≥99%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

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

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Catechol O-methyltransferase inhibitor

Pureza

≥99%

Propriedades do produto

• ALogP: 2.9

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
• CAS alternativo: 274925-86-9
• PubChem CID: 9838389
• Termos de entrada MeSH: 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone;BIA 3-202;nebicapone
• Peso molecular: 273.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : ≥ 100 mg/mL (365.98 mM)
• Peso molecular: 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

Perguntas frequentes

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.