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292135-78-5 | Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)-
CAS No: 292135-78-5 Catalog No: AG002XQ1 MDL No:MFCD04112984
Product Description
Catalog Number:
AG002XQ1
Chemical Name:
Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)-
CAS Number:
292135-78-5
Molecular Formula:
C17H14Cl2F2N2O4
Molecular Weight:
419.2069
MDL Number:
MFCD04112984
IUPAC Name:
3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-4-(difluoromethoxy)benzamide
InChI:
InChI=1S/C17H14Cl2F2N2O4/c18-11-6-23(25)7-12(19)15(11)22-16(24)10-3-4-13(27-17(20)21)14(5-10)26-8-9-1-2-9/h3-7,9,17,25H,1-2,8H2
InChI Key:
KHXXMSARUQULRI-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)c[n+](cc1Cl)[O-])F
UNII:
F08MQ6CZCS
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.03g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.206g/mol
Monoisotopic Mass:
418.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Simultaneous quantitation of IC87114, roflumilast and its active metabolite roflumilast N-oxide in plasma by LC-MS/MS: application for a pharmacokinetic study. | Journal of mass spectrometry : JMS 20121201 |
| The glucose-lowering effects of the PDE4 inhibitors roflumilast and roflumilast-N-oxide in db/db mice. | Diabetologia 20121001 |
| Roflumilast N-oxide, a PDE4 inhibitor, improves cilia motility and ciliated human bronchial epithelial cells compromised by cigarette smoke in vitro. | British journal of pharmacology 20120801 |
| Sensitive quantification of roflumilast and roflumilast N-oxide in human plasma by LC-MS/MS employing parallel chromatography and electrospray ionisation. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20120415 |
| Roflumilast inhibits the release of chemokines and TNF-α from human lung macrophages stimulated with lipopolysaccharide. | British journal of pharmacology 20120301 |
| Roflumilast-N-oxide induces surfactant protein expression in human alveolar epithelial cells type II. | PloS one 20120101 |
| Pharmacokinetic evaluation of roflumilast. | Expert opinion on drug metabolism & toxicology 20111201 |
| Influence of renal impairment on the pharmacokinetics of oral roflumilast: an open-label, parallel-group, single-center study. | International journal of clinical pharmacology and therapeutics 20110801 |
| Effect of steady-state enoxacin on single-dose pharmacokinetics of roflumilast and roflumilast N-oxide. | Journal of clinical pharmacology 20110401 |
| No dose adjustment on coadministration of the PDE4 inhibitor roflumilast with a weak CYP3A, CYP1A2, and CYP2C19 inhibitor: an investigation using cimetidine. | Journal of clinical pharmacology 20110401 |
| Chronopharmacology of roflumilast: a comparative pharmacokinetic study of morning versus evening administration in healthy adults. | Chronobiology international 20101001 |
| Population pharmacokinetic modelling of roflumilast and roflumilast N-oxide by total phosphodiesterase-4 inhibitory activity and development of a population pharmacodynamic-adverse event model. | Clinical pharmacokinetics 20100901 |
| A phosphodiesterase 4 inhibitor, roflumilast N-oxide, inhibits human lung fibroblast functions in vitro. | Pulmonary pharmacology & therapeutics 20100801 |
| Effects of rifampicin on the pharmacokinetics of roflumilast and roflumilast N-oxide in healthy subjects. | British journal of clinical pharmacology 20091001 |
| The targeted oral, once-daily phosphodiesterase 4 inhibitor roflumilast and the leukotriene receptor antagonist montelukast do not exhibit significant pharmacokinetic interactions. | Journal of clinical pharmacology 20090401 |
| Effect of repeated dose of erythromycin on the pharmacokinetics of roflumilast and roflumilast N-oxide. | International journal of clinical pharmacology and therapeutics 20090401 |
| Effect of single and repeated doses of ketoconazole on the pharmacokinetics of roflumilast and roflumilast N-oxide. | Journal of clinical pharmacology 20081101 |
| Roflumilast inhibits leukocyte-endothelial cell interactions, expression of adhesion molecules and microvascular permeability. | British journal of pharmacology 20071001 |
| Magnesium hydroxide/aluminium hydroxide-containing antacid does not affect the pharmacokinetics of the targeted phosphodiesterase 4 inhibitor roflumilast. | Journal of clinical pharmacology 20070501 |
| Steady-state pharmacokinetics of roflumilast and roflumilast N-oxide in patients with mild and moderate liver cirrhosis. | Clinical pharmacokinetics 20070101 |
| Effect of fluvoxamine on the pharmacokinetics of roflumilast and roflumilast N-oxide. | Clinical pharmacokinetics 20070101 |
| Investigation of a potential food effect on the pharmacokinetics of roflumilast, an oral, once-daily phosphodiesterase 4 inhibitor, in healthy subjects. | Journal of clinical pharmacology 20061001 |
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