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131926-99-3 | 1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfonyl]-
CAS No: 131926-99-3 Catalog No: AG000ZXL MDL No:MFCD08063665
Product Description
Catalog Number:
AG000ZXL
Chemical Name:
1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfonyl]-
CAS Number:
131926-99-3
Molecular Formula:
C16H14F3N3O3S
Molecular Weight:
385.3609
MDL Number:
MFCD08063665
IUPAC Name:
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazole
InChI:
InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
InChI Key:
TVMJMCGRSSSSDJ-UHFFFAOYSA-N
SMILES:
Cc1c(ccnc1CS(=O)(=O)c1nc2c([nH]1)cccc2)OCC(F)(F)F
UNII:
A62FAW18P1
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.071g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.361g/mol
Monoisotopic Mass:
385.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Pharmacokinetics of lansoprazole and its main metabolites after single intravenous doses in healthy Chinese subjects. | Xenobiotica; the fate of foreign compounds in biological systems 20121101 |
| Effects of CYP2C19 polymorphism on the pharmacokinetics of lansoprazole and its main metabolites in healthy Chinese subjects. | Xenobiotica; the fate of foreign compounds in biological systems 20110601 |
| The effect of CYP2C19 activity on pharmacokinetics of lansoprazole and its active metabolites in healthy subjects. | Pharmaceutical biology 20100801 |
| Potential of lansoprazole as a novel probe for cytochrome P450 3A activity by measuring lansoprazole sulfone in human liver microsomes. | Biological & pharmaceutical bulletin 20090801 |
| Simultaneous determination of lansoprazole and its metabolites 5'-hydroxy lansoprazole and lansoprazole sulphone in human plasma by LC-MS/MS: application to a pharmacokinetic study in healthy volunteers. | Journal of pharmaceutical and biomedical analysis 20081201 |
| Intestinal CYP3A4 is not involved in the enantioselective disposition of lansoprazole. | Xenobiotica; the fate of foreign compounds in biological systems 20060101 |
| Enantioselective disposition of lansoprazole in relation to CYP2C19 genotypes in the presence of fluvoxamine. | British journal of clinical pharmacology 20050701 |
| Effects of clarithromycin on lansoprazole pharmacokinetics between CYP2C19 genotypes. | British journal of clinical pharmacology 20050301 |
| Determination of lansoprazole and two of its metabolites by liquid-liquid extraction and automated column-switching high-performance liquid chromatography: application to measuring CYP2C19 activity. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20050225 |
| Pharmacokinetic differences between the enantiomers of lansoprazole and its metabolite, 5-hydroxylansoprazole, in relation to CYP2C19 genotypes. | European journal of clinical pharmacology 20041101 |
| Effects of fluvoxamine on lansoprazole pharmacokinetics in relation to CYP2C19 genotypes. | Journal of clinical pharmacology 20041101 |
| Simultaneous determination of lansoprazole enantiomers and their metabolites in plasma by liquid chromatography with solid-phase extraction. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040525 |
| A novel antioxidant and antiapoptotic role of omeprazole to block gastric ulcer through scavenging of hydroxyl radical. | The Journal of biological chemistry 20030328 |
| Dose-dependent inhibition of CYP3A activity by clarithromycin during Helicobacter pylori eradication therapy assessed by changes in plasma lansoprazole levels and partial cortisol clearance to 6beta-hydroxycortisol. | Clinical pharmacology and therapeutics 20020701 |
| Role of CYP3A4 and CYP2C19 in the stereoselective metabolism of lansoprazole by human liver microsomes. | European journal of clinical pharmacology 20011201 |
| High-performance liquid chromatographic assay for the simultaneous determination of lansoprazole enantiomers and metabolites in human liver microsomes. | Journal of chromatography. B, Biomedical sciences and applications 20010605 |
| Pharmacokinetic differences between lansoprazole enantiomers and contribution of cytochrome P450 isoforms to enantioselective metabolism of lansoprazole in dogs. | Biological & pharmaceutical bulletin 20010301 |
| Identification of the human P450 enzymes involved in lansoprazole metabolism. | The Journal of pharmacology and experimental therapeutics 19960501 |
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