MK-0359
Basic information
- CAS
346629-30-9- Standard SMILES
Cc1noc(/C(=C/c2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1- InChIKey
YYGZHVJDHMMABU-OGLMXYFKSA-N- Molecular formula
- C31H29N3O5S2
- Average molar mass
- 587.7 g/mol
- Monoisotopic mass
- 587.15486338
Names & identifiers
- Preferred name
- MK-0359
- IUPAC
- 3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole
- English name
- 6-(1-Methanesulfonyl-1-methyl-ethyl)-8-(3-[(E)-2-(4-methanesulfonyl-phenyl)-2-(3-methyl-[1,2,4]oxadiazol-5-yl)-vinyl]-phenyl)-quinoline
- Molecular formula
- C31H29N3O5S2
- Molecular weight
- 587.71
Names & synonyms
MK-0359UNII-G6GSO9SDNJL-454560G6GSO9SDNJQuinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-MK03593-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole3-methyl-5-((E)-1-(4-methylsulfonylphenyl)-2-(3-(6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl)phenyl)ethenyl)-1,2,4-oxadiazoleRefChem:159171346629-30-9CHEMBL3725756-(1-METHANESULFONYL-1-METHYL-ETHYL)-8-(3-[(E)-2-(4-METHANESULFONYL-PHENYL)-2-(3-METHYL-[1,2,4]OXADIAZOL-5-YL)-VINYL]-PHENYL)-QUINOLINE
Show more names
L-454,560MK 0359QUINOLINE, 6-[1-METHYL-1-(METHYLSULFONYL)ETHYL]-8-[3-[(1E)-2-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-2-[4-(METHYLSULFONYL)PHENYL]ETHENYL]PHENYL]-
6-(1-Methanesulfonyl-1-methyl-ethyl)-8-{3-[(E)-2-(4-methanesulfonyl-phenyl)-2-(3-methyl-[1,2,4]oxadiazol-5-yl)-vinyl]-phenyl}-quinolineGTPL9852orb1696079SCHEMBL4027148SCHEMBL29684788BDBM50174022AKOS040753082NCGC00386496-01
Database identifiers
- CAS
346629-30-9- PubChem CID
- 9853498
- ChEMBL
CHEMBL372575- UNII
- G6GSO9SDNJ
- Nikkaji
- J2.553.538C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- Melting point
- 201 · 201-203 °C
- Boiling point
- 839.4 · 839.4±75.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- pka
- 3 · 3+-.0.20(Predicted)
- FDA UNII
- 6 GSO9SDNJ · G6GSO9SDNJ
Chemistry & industry
Applications
UsesMK-0359 (L-454,560) is a selective and orally active PDE4 inhibitor, and can be used for asthma and chronic obstructive pulmonary disease (COPD) research[1].
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Compound notes
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