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.

사양

동의어

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥98%

제품 특성

pKa

pKa: 13.79 (Predicted)

이름과 식별자

Pubchem Sid

528763037

정식 스마일

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)

이성체 SMILES

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

WGK 독일

분자량

264.28

Reaxy-Rn

2866214

Reaxys-RN_link_address

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

문서

📋 안전 데이터 시트(SDS)

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

✅ 분석 성적서(COA)

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고급 데이터

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
분류	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
설명	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 구조

관련 대상(인간)

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	날짜	항목
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

용해성	Soluble in ethanol (~5 mg/ml), DMSO (~30 mg/ml), DMF (~30 mg/ml), methanol, and water (1 mg/ml at 25° C).
굴절률	n20D1.56 (Predicted)
끓는점(°C)	~589.4° C at 760 mmHg (Predicted)
녹는점(°C)	123-126° C
분자량	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

보관 및 배송

품질 문서

문헌적 근거

개요

사양

문서

📋 안전 데이터 시트(SDS)

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📊 데이터시트

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고급 데이터

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