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Home > Nitro Compounds > 13153-27-0
13153-27-0 | Guanosine, 6-S-[(4-nitrophenyl)methyl]-6-thio-
CAS No: 13153-27-0 Catalog No: AG000ZCT MDL No:
Product Description
Catalog Number:
AG000ZCT
Chemical Name:
Guanosine, 6-S-[(4-nitrophenyl)methyl]-6-thio-
CAS Number:
13153-27-0
Molecular Formula:
C17H18N6O6S
Molecular Weight:
434.4264
IUPAC Name:
(2R,3R,4S,5R)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C17H18N6O6S/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(5-24)29-16)15(21-17)30-6-8-1-3-9(4-2-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
InChI Key:
BRSNNJIJEZWSBU-XNIJJKJLSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)nc2SCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
434.101g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
434.427g/mol
Monoisotopic Mass:
434.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
211A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. | Nature chemical biology 20091001 |
| Constrained NBMPR analogue synthesis, pharmacophore mapping and 3D-QSAR modeling of equilibrative nucleoside transporter 1 (ENT1) inhibitory activity. | Bioorganic & medicinal chemistry 20080401 |
| Novel C2-purine position analogs of nitrobenzylmercaptopurine riboside as human equilibrative nucleoside transporter 1 inhibitors. | Bioorganic & medicinal chemistry 20071215 |
| Indirect activation of adenosine A1 receptors in cultured rat hippocampal neurons by volatile anaesthetics. | European journal of anaesthesiology 20050901 |
| Uptake and release of [3H]adenosine in human dental pulp. | Archives of oral biology 20030401 |
| Activation of A(3) receptors by endogenous adenosine inhibits synaptic transmission during hypoxia in rat cortical neurons. | Restorative neurology and neuroscience 20030101 |
| Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. | The Journal of biological chemistry 20020419 |
| Purine nucleoside-dependent inhibition of cellular proliferation in 1321N1 human astrocytoma cells. | The Journal of pharmacology and experimental therapeutics 20011101 |
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