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Eicosanoid turnover
FK-881 , CAS No.524699-72-7, Inhibitor of COX-1;Inhibitor of COX-2

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FK-881 , CAS No.524699-72-7, Inhibitor of COX-1;Inhibitor of COX-2

COA

Grade & Purity:

Moligand™

Cas Number: 524699-72-7
PubChem CID: 9922739

In stock

Item Number

F610331

Grouped product items
SKU	Size	Availability	Price	Qty
F610331-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
F610331-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,345.90

View related series

COX-1 Inhibitor (30) COX-2 Inhibitor (41)

Basic Description

Synonyms	SCHEMBL1193845 \| ASP 6537 \| LN4A42V962 \| BDBM50084631 \| UNII-LN4A42V962 \| 3-methoxy-1,5-bis(4-methoxyphenyl)-1h-1,2,4-triazole \| 3-Methoxy-1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazole- \| AKOS025403818 \| ASP6537 \| ASP-6537 \| 1H-1,2,4-Triazole, 3-methoxy-1,5-
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of COX-1;Inhibitor of COX-2

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Triazoles
      - Level5 Phenyltriazoles
        Level6 Phenyl-1,2,4-triazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Triazoles
Intermediate Tree Nodes	Phenyltriazoles
Direct Parent	Phenyl-1,2,4-triazoles
Alternative Parents	Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-1,2,4-triazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors	Not available
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)

PTGS1 Tclin Prostaglandin G/H synthase 1 (3 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Prostaglandin G/H synthase 2 (1 Activities)

Discover Target: PTGS2

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-methoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
INCHI	InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
InChIKey	OBAICMYWONZOSZ-UHFFFAOYSA-N
Smiles	COc1ccc(cc1)n1nc(nc1c1ccc(cc1)OC)OC
Isomeric SMILES	COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)OC)OC
PubChem CID	9922739

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	311.330 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	311.127 Da
Monoisotopic Mass	311.127 Da
Topological Polar Surface Area	58.400 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	355.000
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

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