MRS928 - Moligand™,≥98% , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 3 receptor, CAS No.26964-29-4, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 3 receptor

CAS: 26964-29-4 Cat. No.: M612075 Molecular Weight: 312.32 EC Number: 841-119-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

LMPK12111652 | MRS928 | 3,5,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one | GTPL402 | 3,5,7-Trimethoxy-2-phenyl-4H-chromen-4-one | CCG-214229 | Flavone, 3,5,7-trimethoxy- | HY-15121 | Galangin trimethyl ether | Q27087799 | SCHEMBL1664287 | AKOS030530658 | C

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

MRS928, a flavonoid compound, can inhibit the TNF-α-induced high expression and secretion of MMP-1 by cells. 3,5,7-Trimethoxyflavone can be used to ameliorate skin damage

Specifications

Synonyms

LMPK12111652 | MRS928 | 3, 5, 7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one | GTPL402 | 3, 5, 7-Trimethoxy-2-phenyl-4H-chromen-4-one | CCG-214229 | Flavone, 3, 5, 7-trimethoxy- | HY-15121 | Galangin trimethyl ether | Q27087799 | SCHEMBL1664287 | AKOS030530658 | C

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 3 receptor

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC=CC=C3)OC
• IUPAC Name: 3,5,7-trimethoxy-2-phenylchromen-4-one
• InChIKey: CBTHKWVPSIGKMI-UHFFFAOYSA-N
• INCHI: 1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3
• Isomeric SMILES: COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC=CC=C3)OC
• Alternate CAS: 26964-29-4
• Molecular Weight: 312.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-O-methylated flavonoids
• Alternative Parents: 5-O-methylated flavonoids 3-O-methylated flavonoids Flavones 3-methoxychromones Anisoles Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Vinylogous esters Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavone - 3-methoxychromone - Chromone - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous ester - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This 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

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

Associated Targets(Human)

ADORA2A Tclin Adenosine receptor A2a (1 Activities)

Discover Target: ADORA2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADORA1 Tclin Adenosine receptor A1 (1 Activities)

Discover Target: ADORA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADORA3 Tchem Adenosine receptor A3 (1 Activities)

Discover Target: ADORA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

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

ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

Discover Target: ADORA3

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

Associated Targets(non-human)

3T3-L1 (3664 Activities)

Explore this target

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

Adora2b Adenosine A2 receptor (1828 Activities)

Discover Target: Adora2b

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 312.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 312.1 Da
• Monoisotopic Mass: 312.1 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 466.000
• 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