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

Name: AFMK - Moligand™, ≥98% , CAS No.52450-38-1
Brand: Aladdin Scientific
SKU: A336148
Availability: InStock

CAS: 52450-38-1 Cat. No.: A336148 Molecular Weight: 264.28 EC Number: 637-059-2

COA

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AFMK - Moligand™, ≥98% CAS No(52450-38-1) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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.

Specifications

Synonyms

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Product Properties

pKa	pKa: 13.79 (Predicted)

Names and Identifiers

Canonical Smiles	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)
Isomeric SMILES	CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O
WGK Germany	3
Molecular Weight	264.28
Reaxy-Rn	2866214
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2866214&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	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
Description	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

3D Structure

Associated Targets(Human)

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	Date	Item
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

Solubility	Soluble in ethanol (~5 mg/ml), DMSO (~30 mg/ml), DMF (~30 mg/ml), methanol, and water (1 mg/ml at 25° C).
Refractive Index	n20D1.56 (Predicted)
Boil Point(°C)	~589.4° C at 760 mmHg (Predicted)
Melt Point(°C)	123-126° C
Molecular Weight	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

Why this grade

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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