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Lirimilast

CAT: 1410-M14085-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M14085-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lirimilast (BAY 19-8004; BAY 198004) is a potent and selective PDE4 inhibitor for the treatment of COPD.
CAS Number
329306-27-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
443.251
Molecular Formula
C17H12Cl2N2O6S
Notes
Research use only, not for human use.
Receptor
PDE

Chemical Information

Lirimilast

Lirimilast is a small molecule drug. The usage of the INN stem '-milast' in the name indicates that Lirimilast is a Phosphodiesterase-4 (PDE4) inhibitor. Lirimilast has a monoisotopic molecular weight of 441.98 Da.

CAS Number329306-27-6
PubChem CID6433118
IUPAC Name[3-(carbamoylamino)-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl] methanesulfonate
Molecular FormulaC17H12Cl2N2O6S
Molecular Weight443.3
XLogP4
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity715
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
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
Chemical Structure
2D Structure
2D structure of Lirimilast
CAS: 329306-27-6
CID: 6433118
Formula: C17H12Cl2N2O6S
MW: 443.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.3
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass441.9793127
Monoisotopic Mass441.9793127
Topological Polar Surface Area137 Ų
Heavy Atom Count28
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8211-1Lirimilast

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