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139308-65-9

139308-65-9 | Benzenesulfonamide, N-[4-[(4aR,10bS)-1,2,3,4,4a,10b-hexahydro-8,9-dimethoxy-2-methylbenzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methyl-, rel-(-)-

CAS No: 139308-65-9 Catalog No: AG001AQ2 MDL No:

Product Description

Catalog Number:
AG001AQ2
Chemical Name:
Benzenesulfonamide, N-[4-[(4aR,10bS)-1,2,3,4,4a,10b-hexahydro-8,9-dimethoxy-2-methylbenzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methyl-, rel-(-)-
CAS Number:
139308-65-9
Molecular Formula:
C28H31N3O4S
Molecular Weight:
505.6284
IUPAC Name:
N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C28H31N3O4S/c1-18-5-11-21(12-6-18)36(32,33)30-20-9-7-19(8-10-20)28-23-16-27(35-4)26(34-3)15-22(23)24-17-31(2)14-13-25(24)29-28/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3/t24-,25-/m0/s1
InChI Key:
FVZJIAUYFDQQKJ-DQEYMECFSA-N
SMILES:
COc1cc2[C@H]3CN(C)CC[C@H]3N=C(c2cc1OC)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C

Properties

Complexity:
874  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
505.204g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
505.633g/mol
Monoisotopic Mass:
505.204g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Literature

Title Journal
cAMP phosphodiesterase inhibitors increases nitric oxide production by modulating dimethylarginine dimethylaminohydrolases. Circulation 20110322
Targeting dimethylarginine dimethylaminohydrolases in pulmonary arterial hypertension: a new approach to improve vascular dysfunction? Circulation 20110322
Inhaled tolafentrine reverses pulmonary vascular remodeling via inhibition of smooth muscle cell migration. Respiratory research 20050101
Antiremodeling effects of iloprost and the dual-selective phosphodiesterase 3/4 inhibitor tolafentrine in chronic experimental pulmonary hypertension. Circulation research 20040430
Cyclic AMP increases endogenous granulocyte colony-stimulating factor formation in monocytes and THP-1 macrophages despite attenuated TNF-alpha formation. European journal of immunology 20030801
Amplification of the pulmonary vasodilatory response to inhaled iloprost by subthreshold phosphodiesterase types 3 and 4 inhibition in severe pulmonary hypertension. Critical care medicine 20021101
Coaerosolization of phosphodiesterase inhibitors markedly enhances the pulmonary vasodilatory response to inhaled iloprost in experimental pulmonary hypertension. Maintenance of lung selectivity. American journal of respiratory and critical care medicine 20011101

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