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346629-30-9 | 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
CAS No: 346629-30-9 Catalog No: AG00CNJA MDL No:
Product Description
Catalog Number:
AG00CNJA
Chemical 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
CAS Number:
346629-30-9
Molecular Formula:
C31H29N3O5S2
Molecular Weight:
587.7091
IUPAC Name:
3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole
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+
InChI Key:
YYGZHVJDHMMABU-OGLMXYFKSA-N
SMILES:
Cc1noc(n1)C(=Cc1cccc(c1)c1cc(cc2c1nccc2)C(S(=O)(=O)C)(C)C)c1ccc(cc1)S(=O)(=O)C
UNII:
G6GSO9SDNJ
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
587.155g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
587.709g/mol
Monoisotopic Mass:
587.155g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Pharmacological validation of Trypanosoma brucei phosphodiesterases B1 and B2 as druggable targets for African sleeping sickness. | Journal of medicinal chemistry 20111208 |
| Randomized, placebo-controlled study of a selective PDE4 inhibitor in the treatment of asthma. | Respiratory medicine 20090301 |
| Optimization and structure-activity relationship of a series of 1-phenyl-1,8-naphthyridin-4-one-3-carboxamides: identification of MK-0873, a potent and effective PDE4 inhibitor. | Bioorganic & medicinal chemistry letters 20081015 |
| Recent advances on phosphodiesterase 4 inhibitors for the treatment of asthma and chronic obstructive pulmonary disease. | Journal of medicinal chemistry 20080925 |
| Design, synthesis, and biological evaluation of 8-biarylquinolines: a novel class of PDE4 inhibitors. | Bioorganic & medicinal chemistry letters 20080215 |
| L-454,560, a potent and selective PDE4 inhibitor with in vivo efficacy in animal models of asthma and cognition. | Biochemical pharmacology 20070615 |
| Interspecies in vitro metabolism of the phosphodiesterase-4 (PDE4) inhibitor L-454,560. | Journal of mass spectrometry : JMS 20060601 |
| Deletion of phosphodiesterase 4D in mice shortens alpha(2)-adrenoceptor-mediated anesthesia, a behavioral correlate of emesis. | The Journal of clinical investigation 20021001 |
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