MW: 419.42
CAS: 38048-32-7
MDL NUMBER: MFCD00323601
Smiles: C(C1OC(n2c3c(c(SCc4ccc(cc4)[N+]([O-])=O)ncn3)nc2)C(C1O)O)O
Neurotransmitters > Adenosines/P2 Nucleotide Receptors (Purinergics)
ACCEPTORS: 6
DONORS: 3
ROTATION BONDS: 7
N+O: 11
Chiral Centers: 4
LogP: -0.43
LogS: -3.5
LIPINSKI: 4
Synonyms: 6-[(4-NITROBENZYL)THIO]-9-BETA-D-RIBOFURANOSYLPURINE;S-(P-NITROBENZYL)-6-THIOINOSINE;S-(4-NITROBENZYL)-6-THIOINOSINE;NBMPR;NBTI;4-nitrobenzylthioinosine;6-(((4-nitrophenyl)methyl)thio)-9-beta-d-ribofuranosyl-9h-purin;6-(((4-nitrophenyl)methyl)thio)-9-beta-d-ribofuranosyl-9h-purine
CAS:38048-32-7
MF:C17H17N5O6S
MW:419.41
EINECS:253-753-4
Product Categories:Bases & Related Reagents;Heterocycles;Inhibitors;Nucleotides;Sulfur & Selenium Compounds S-(4-NITROBENZYL)-6-THIOINOSINE
Chemical Properties: mp 187-190 C(lit.) storage temp. 2-8C solubility 0.1 M HCl: slightly soluble form solid color white
CAS DataBase Reference: 38048-32-7(
CAS DataBase Reference: )
Safety Information: Safety Statements 24/25 WGK Germany 3 RTECS UO9025000 S-(4-NITROBENZYL)-6-THIOINOSINE
Usage And Synthesis:
Chemical Properties: Off-White Solid UsageIt is a prototype inhibitor of the human equilibrative nucleoside transporter (hENT1), and is a high affinity ligand with a Kd of 0.1-1.0 nM. Nucleoside transporter inhibitors have potential therapeutic applications as anticancer, antiviral, cardio Biological ActivityEquilibrative nucleoside transporter 1 (ENT1) inhibitor (K i values are 0.4 and 2800 nM for hENT1 and hENT2 respectively). S-(4-NITROBENZYL)-6-THIOINOSINE
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