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178307-42-1 | 2-Pyrimidinamine, 4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-, hydrochloride (1:1)
CAS No: 178307-42-1 Catalog No: AG0025XC MDL No:MFCD09955384
Product Description
Catalog Number:
AG0025XC
Chemical Name:
2-Pyrimidinamine, 4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-, hydrochloride (1:1)
CAS Number:
178307-42-1
Molecular Formula:
C22H24ClFN4
Molecular Weight:
398.9042
MDL Number:
MFCD09955384
IUPAC Name:
N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
InChI:
InChI=1S/C22H23FN4.ClH/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3;/h4-11,16H,12-13H2,1-3H3,(H,24,25,26);1H
InChI Key:
MALPZYQJEDBIAK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Nc1nc(c(c(n1)C)C)N1CCc2c(C1C)cccc2.Cl
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.167g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.91g/mol
Monoisotopic Mass:
398.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Bioavailability and tolerability of combination treatment with revaprazan 200 mg + itopride 150 mg: a randomized crossover study in healthy male Korean volunteers. | Clinical therapeutics 20120901 |
| Mitigating endoplasmic reticulum stress with revaprazan ameliorates stress-related mucosal disease. | Journal of gastroenterology and hepatology 20120101 |
| In vitro and in vivo protection against indomethacin-induced small intestinal injury by proton pump inhibitors, acid pump antagonists, or indomethacin-phosphatidylcholine. | Digestion 20120101 |
| The potential inhibitory effect of revaprazan, an acid pump antagonist, on anticoagulation with warfarin. | The Tohoku journal of experimental medicine 20110801 |
| Acid pump antagonist-provoked HSP27 dephosphorylation and accentuation rescues stomach from indomethacin-induced damages. | Journal of digestive diseases 20110401 |
| [Effect of acid pump antagonist (Revaprazan, Revanex(R)) on the result of 13C urea breath test in the patients with Helicobacter pylori associated peptic ulcer disease]. | The Korean journal of gastroenterology = Taehan Sohwagi Hakhoe chi 20110101 |
| [Effect of acid pump antagonist (Revaprazan, Revanex(R)) on result of 13C urea breath test in patients with Helicobacter pylori associated peptic ulcer disease]. | The Korean journal of gastroenterology = Taehan Sohwagi Hakhoe chi 20110101 |
| Novel pyrimidines as acid pump antagonists (APAs). | Bioorganic & medicinal chemistry letters 20101001 |
| The transport of a reversible proton pump antagonist, 5, 6-dimethyl-2-(4-Fluorophenylamino)-4-(1-methyl-1,2,3, 4-tetrahydroisoquinoline-2-yl) pyrimidine hydrochloride (YH1885), across caco-2 cell monolayers. | Drug metabolism and disposition: the biological fate of chemicals 20010101 |
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