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1015787-98-0 | Benzenesulfonamide, 5-[(2,4-diamino-5-pyrimidinyl)oxy]-2-methoxy-4-(1-methylethyl)-
CAS No: 1015787-98-0 Catalog No: AG0004UD MDL No:
Product Description
Catalog Number:
AG0004UD
Chemical Name:
Benzenesulfonamide, 5-[(2,4-diamino-5-pyrimidinyl)oxy]-2-methoxy-4-(1-methylethyl)-
CAS Number:
1015787-98-0
Molecular Formula:
C14H19N5O4S
Molecular Weight:
353.3968
IUPAC Name:
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide
InChI:
InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)
InChI Key:
HLWURFKMDLAKOD-UHFFFAOYSA-N
SMILES:
COc1cc(C(C)C)c(cc1S(=O)(=O)N)Oc1cnc(nc1N)N
UNII:
6K6L7E3F1L
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.397g/mol
Monoisotopic Mass:
353.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Medicinal chemistry of adenosine, P2Y and P2X receptors. | Neuropharmacology 20160501 |
| P2X3 receptor antagonist (AF-219) in refractory chronic cough: a randomised, double-blind, placebo-controlled phase 2 study. | Lancet (London, England) 20150328 |
| Potential for developing purinergic drugs for gastrointestinal diseases. | Inflammatory bowel diseases 20140701 |
| The therapeutic promise of ATP antagonism at P2X3 receptors in respiratory and urological disorders. | Frontiers in cellular neuroscience 20130101 |
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