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MK-0359

CAT: 0931-T33418-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33418-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
346629-30-9
Target
PDE, Others
Related Pathways
Metabolism, Others
Bioactivity
MK-0359 (L454560) is a selective and effective oral PDE4 inhibitor for the treatment of chronic asthma.
Smiles
C(S(C)(=O)=O)(C)(C)C=1C=C(C2=C(C1)C=CC=N2)C3=CC(/C=C(\C4=CC=C(S(C)(=O)=O)C=C4)/C=5ON=C(C)N5)=CC=C3
Molecular Formula
C31H29N3O5S2
Molecular Weight
587.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MK-0359
CAS Number346629-30-9
PubChem CID9853498
IUPAC Name3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole
Molecular FormulaC31H29N3O5S2
Molecular Weight587.7
XLogP5.6
Topological Polar Surface Area137
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity1150
SMILES
CC1=NOC(=N1)/C(=C/C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)/C5=CC=C(C=C5)S(=O)(=O)C
InChI
InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+
InChIKey
YYGZHVJDHMMABU-OGLMXYFKSA-N
Chemical Structure
2D Structure
2D structure of MK-0359
CAS: 346629-30-9
CID: 9853498
Formula: C31H29N3O5S2
MW: 587.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.7
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass587.15486338
Monoisotopic Mass587.15486338
Topological Polar Surface Area137 Ų
Heavy Atom Count41
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS387844-01MK-0359
A13467-25MK-0359 25mg
A13467-5MK-0359 5mg
A13467-100MK-0359 100mg
A13467-50MK-0359 50mg
GTR19211146-01MK-0359 besylate
A13467-10MK-0359 10mg
324068-01MK
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