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Prueba documental

Citado en 0 publicaciones revisadas por pares sobre cromatografía, síntesis orgánica y reacciones de acoplamiento cruzado.

Descripción general

AFMK is a metabolite of the pineal hormone melatonin that exhibits antioxidant, immunomodulatory and anti-inflammatory properties. AFMK was first detected in rat brain and was found to be useful as an index for melatonin synthesis and metabolism.

Application：

AFMK, antioxidant metabolite of Melatonin, attenuates X-ray-induced oxidative damage to DNA, proteins and lipids in mice. AFMK is a poorer scavenger. The pKa of AFMK at physiological pH is 8.7. Antioxidant capacity. AFMK improves the anti-tumor effect of Gemcitabine in PANC-1 cells through the modulation of apoptotic pathway.

Especificaciones

Sinónimos

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Propiedades del producto

pKa

pKa: 13.79 (Predicted)

Nombres e identificadores

Pubchem Sid

528763037

Sonrisas canónicas

CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O

IUPAC Name

N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide

InChIKey

JYWNYMJKURVPFH-UHFFFAOYSA-N

INCHI

1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)

Isómeros SMILES

CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O

WGK Alemania

Peso molecular

264.28

Reaxy-Rn

2866214

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2866214&ln=

Documentación

📋 Hoja de datos de seguridad (SDS)

Documento completo sobre peligros, manipulación, almacenamiento y cumplimiento normativo.

<<<<<<< HEAD Descargar SDS → ======= Descargar SDS → >>>>>>> release248-p3

✅ Certificado de análisis (COA)

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Datos avanzados

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Clase Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Methoxyanilines Anilides Phenoxy compounds N-arylamides Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Vinylogous amides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - N-arylamide - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acetamide - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	a small molecule
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

Estructura 3D

Objetivos asociados (humanos)

MTNR1A Tclin Melatonin receptor 1A (2519 Activities)

Discover Target: MTNR1A

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

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
B2506170	Certificate of Analysis	Jan 16, 2025	A336148
B2506171	Certificate of Analysis	Jan 16, 2025	A336148
B2506172	Certificate of Analysis	Jan 16, 2025	A336148
B2506173	Certificate of Analysis	Jan 16, 2025	A336148
B2506174	Certificate of Analysis	Jan 16, 2025	A336148
B2506175	Certificate of Analysis	Jan 16, 2025	A336148
B2506228	Certificate of Analysis	Jan 16, 2025	A336148
B2506230	Certificate of Analysis	Jan 16, 2025	A336148
B2506233	Certificate of Analysis	Jan 16, 2025	A336148
B2506234	Certificate of Analysis	Jan 16, 2025	A336148
B2506235	Certificate of Analysis	Jan 16, 2025	A336148
B2506237	Certificate of Analysis	Jan 16, 2025	A336148

Solubilidad	Soluble in ethanol (~5 mg/ml), DMSO (~30 mg/ml), DMF (~30 mg/ml), methanol, and water (1 mg/ml at 25° C).
Índice de refracción	n20D1.56 (Predicted)
Punto de ebullición (°C)	~589.4° C at 760 mmHg (Predicted)
Punto de fusión (°C)	123-126° C
Peso molecular	264.280 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	264.111 Da
Monoisotopic Mass	264.111 Da
Topological Polar Surface Area	84.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	333.000
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

AFMK - Moligand™, ≥98% , CAS No.52450-38-1

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