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Lirimilast - 98%, high purity , CAS No.329306-27-6

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 329306-27-6
Molecular Weight: 443.26
PubChem CID: 6433118

In stock

Item Number

L649837

Grouped product items
SKU	Size	Availability	Price
L649837-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$529.90
L649837-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$899.90
L649837-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,619.90
L649837-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,399.90

View related series

Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395) Phosphodiesterase (PDE) (252)

Basic Description

Synonyms	LIRIMILAST [WHO-DD] \| NCGC00263118-01 \| BAY19-8004 \| Q27279046 \| E98791 \| MS-27976 \| Cefaclor-1-wasser \| EINECS 274-322-7 \| Lirimilast \| 2-(2,4-Dichlorobenzoyl)-3-ureidobenzofuran-6-yl methanesulfonate \| SMR004703312 \| SR-01000945274-1 \| EX-A5382 \| SR-010
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Lirimilast (BAY 19-8004) is a potent, selective phosphodiesterase-4 (PDE4) inhibitor with an IC50 value of 49 nM. Lirimilast can be used for the treatment of asthma or chronic obstructive pulmonary disease (COPD). Lirimilast has potently anti-inflammatory
Storage Temp	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™
Product Description	Lirimilast (BAY 19-8004) is a potent, selective and orally active phosphodiesterase-4 (PDE4) inhibitor with an IC 50 value of 49 nM. Lirimilast can be used for the treatment of asthma or chronic obstructive pulmonary disease (COPD). Lirimilast has potently anti-inflammatory properties In Vitro In PDE4 assays Lirimilast (BAY 19-8004) is reported to be 5-fold more potent than Cilomilast and equipotent with CDP-840 using freshly prepared PDE4 from human PMNL. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo Since Lirimilast (BAY 19-8004) is orally active in the guinea-pig at 3 mg/kg and, more critically, in primates at 0.1 mg/kg/day it appears to have a good therapeutic ratio. In addition Lirimilast is found to be 3-fold more potent than Cilomilast when compared in a rat model of lung neutrophilic inflammation. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:PDE4 42 nM (IC 50 )

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 Aryl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Aryl-phenylketones
Alternative Parents	Benzofurans Benzoyl derivatives Dichlorobenzenes Aryl chlorides Sulfonic acid esters Organosulfonic acid esters Vinylogous halides Vinylogous amides Sulfonyls Furans Heteroaromatic compounds Methanesulfonates Ureas Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl-phenylketone - Benzofuran - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfonic acid ester - Organosulfonic acid ester - Heteroaromatic compound - Vinylogous amide - Furan - Vinylogous halide - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Urea - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and 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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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-(carbamoylamino)-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl] methanesulfonate
INCHI	InChI=1S/C17H12Cl2N2O6S/c1-28(24,25)27-9-3-5-11-13(7-9)26-16(14(11)21-17(20)23)15(22)10-4-2-8(18)6-12(10)19/h2-7H,1H3,(H3,20,21,23)
InChIKey	YPFLFUJKZDAXRA-UHFFFAOYSA-N
Smiles	CS(=O)(=O)OC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=C(C=C(C=C3)Cl)Cl)NC(=O)N
Isomeric SMILES	CS(=O)(=O)OC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=C(C=C(C=C3)Cl)Cl)NC(=O)N
Alternate CAS	329306-27-6
PubChem CID	6433118
MeSH Entry Terms	BAY 19-8004;BAY-19-8004;BAY19-8004
Molecular Weight	443.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	443.300 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	441.979 Da
Monoisotopic Mass	441.979 Da
Topological Polar Surface Area	137.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	715.000
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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