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1018679-79-2 | 1H-Pyrazolo[3,4-g]isoquinoline, 4a-(ethoxymethyl)-1-(4-fluorophenyl)-4,4a,5,6,7,8-hexahydro-6-[[4-(trifluoromethyl)phenyl]sulfonyl]-, (4aR)-
CAS No: 1018679-79-2 Catalog No: AG0005SV MDL No:
Product Description
Catalog Number:
AG0005SV
Chemical Name:
1H-Pyrazolo[3,4-g]isoquinoline, 4a-(ethoxymethyl)-1-(4-fluorophenyl)-4,4a,5,6,7,8-hexahydro-6-[[4-(trifluoromethyl)phenyl]sulfonyl]-, (4aR)-
CAS Number:
1018679-79-2
Molecular Formula:
C26H25F4N3O3S
Molecular Weight:
535.5536
IUPAC Name:
(4aR)-4a-(ethoxymethyl)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
InChI:
InChI=1S/C26H25F4N3O3S/c1-2-36-17-25-14-18-15-31-33(22-7-5-21(27)6-8-22)24(18)13-20(25)11-12-32(16-25)37(34,35)23-9-3-19(4-10-23)26(28,29)30/h3-10,13,15H,2,11-12,14,16-17H2,1H3/t25-/m1/s1
InChI Key:
SLKURXRZHJOZOD-RUZDIDTESA-N
SMILES:
CCOC[C@@]12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)F
UNII:
A17W0640NB
Properties
Complexity:
940
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
535.155g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
535.558g/mol
Monoisotopic Mass:
535.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Administration of a selective glucocorticoid antagonist attenuates electroconvulsive shock-induced retrograde amnesia. | Journal of neural transmission (Vienna, Austria : 1996) 20120301 |
| Selective glucocorticoid receptor (type II) antagonist prevents and reverses olanzapine-induced weight gain. | Diabetes, obesity & metabolism 20100601 |
| 1H-Pyrazolo[3,4-g]hexahydro-isoquinolines as selective glucocorticoid receptor antagonists with high functional activity. | Bioorganic & medicinal chemistry letters 20080215 |
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