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Volume 8, Issue 2 (Suppl)
Chem Sci J 2017
ISSN: 2150-3494 CSJ, an open access journal
Euro Chemistry 2017
May 11-13, 2017
May 11-13, 2017 Barcelona, Spain
4
th
European Chemistry Congress
Notes:
Ulku Dilek Uysal, Chem Sci J 2017, 8:2(Suppl)
http://dx.doi.org/10.4172/2150-3494-C1-009Theoretical study on a newly approved pharmaceutical formulation active components-Indacaterol and
Roflumilast
Ulku Dilek Uysal
and
Halil Berber
Anadolu University, Turkey
I
ndacaterol (In) is 5-{(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxy-2(1H)-quinolinone
maleate. Roflumilast (Ro) (3-cyclopropylmethoxy-4-difluoromethoxy-N-[3,5-dichloropyridyl-4]- benzamide) (Fig. 1). They
have been approved for chronic obstructive pulmonary disease (COPD) [1]. According to the World Health Organization (WHO),
more than 200 million people have moderate-to- severe COPD worldwide [2]. It is in urgent need of the theoratical properties and
structure-activity relationship information for Indacaterol and Roflumilast. These are searched by DFT method with Gaussian09
program (B3LYP/6-311++G(d,p)).
Fig. 1.
Chemical structure of Indacaterol (In), Roflumilast (Ro) and their tautomers.
duysal@anadolu.edu.trN
OH
O
NH
OH
H
N
OH
OH
NH
OH
KT
In1
In2
N
N
H
O
Cl
Cl
O F
F
O
Ro1
N
N
H
O
Cl
Cl
O F
F
O
Ro2
N
H
N O
Cl
Cl
O F
F
O
Ro3
K
T1
K
T2
K
T3