Negletein - Moligand™,≥99% , CAS No.29550-13-8

CAS: 29550-13-8 Cat. No.: N650979 Molecular Weight: 284.26 EC Number: 802-126-9
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
NCGC00385058-01!5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one | ST055981 | AKOS024282370 | BCP33551 | CHEBI:190121 | 7-methoxy-5,6-bis(oxidanyl)-2-phenyl-chromen-4-one | HY-N4285 | 5,6-Dihydroxy-7-methoxy-2-phenyl-chromen-4-one | 5,6-dihydroxy-7-methoxy-2
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
N650979-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$38.90

$69.90
Save $31.00 (44.35%)
5mg
N650979-5mg
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$143.90

$179.90
Save $36.00 (20.01%)
25mg
N650979-25mg
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$499.90
100mg
N650979-100mg
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$937.90
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Why this grade

Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Overview

Negletein (5,6-Dihydroxy-7-methoxyflavone) is a flavone found in Scutellaria. Negletein shows anti-inflammatory activity via inhibiting TNF-α and IL-1β with IC50 values of 16.4 and 6.4 μM, respectively. Negletein can activate Nrf2 and inhibit ROS production. Negletein can enhance the neuroprotective effect of nerve growth factor. Negletein can inhibit amyloid beta-peptide release and accumulation. Negletein can inhibit pathogens biofilms formation. Negletein can be used for the researches of cancer, infection, inflammation and neurological disease, such as colon cancer and Alzheimer's disease.

Specifications

Synonyms
NCGC00385058-01!5, 6-dihydroxy-7-methoxy-2-phenylchromen-4-one | ST055981 | AKOS024282370 | BCP33551 | CHEBI:190121 | 7-methoxy-5, 6-bis(oxidanyl)-2-phenyl-chromen-4-one | HY-N4285 | 5, 6-Dihydroxy-7-methoxy-2-phenyl-chromen-4-one | 5, 6-dihydroxy-7-methoxy-2
Specifications & Purity
Moligand™, ≥99%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical SmilesCOC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O
IUPAC Name5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one
InChIKeyZTHLHHDJRXJGRX-UHFFFAOYSA-N
INCHI1S/C16H12O5/c1-20-13-8-12-14(16(19)15(13)18)10(17)7-11(21-12)9-5-3-2-4-6-9/h2-8,18-19H,1H3
Isomeric SMILES COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O
Molecular Weight 284.26

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

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassFlavonoids
SubclassO-methylated flavonoids
Intermediate Tree Nodes Not available
Direct Parent7-O-methylated flavonoids
Alternative Parents Flavones  6-hydroxyflavonoids  5-hydroxyflavonoids  Chromones  Anisoles  Pyranones and derivatives  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  Benzene and substituted derivatives  Vinylogous acids  Heteroaromatic compounds  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 7-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - 6-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
External Descriptors Flavones and Flavonols
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TOP2B Tclin DNA topoisomerase II beta (959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW480 (6023 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
H9 (1832 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus epidermidis (22802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Stenotrophomonas maltophilia (1743 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 100 mg/mL (351.79 mM; Need ultrasonic)
Sensitivitylight sensitive;Moisture sensitive
Melt Point(°C)218-220°C
Molecular Weight284.260 g/mol
XLogP33.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass284.068 Da
Monoisotopic Mass284.068 Da
Topological Polar Surface Area76.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity426.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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