S-(2-HYDROXY-5-NITROBENZYL)-6-THIOINOSINE

Names

[ CAS No. ]:
56964-73-9

[ Name ]:
S-(2-HYDROXY-5-NITROBENZYL)-6-THIOINOSINE

[Synonym ]:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol

Chemical & Physical Properties

[ Density]:
1.87g/cm3

[ Boiling Point ]:
829.7ºC at 760mmHg

[ Molecular Formula ]:
C₁₇H₁₇N₅O₇S

[ Molecular Weight ]:
435.41100

[ Flash Point ]:
455.6ºC

[ Exact Mass ]:
435.08500

[ PSA ]:
204.87000

[ LogP ]:
0.86710

[ Index of Refraction ]:
1.83

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
NONH for all modes of transport

Articles

Constrained NBMPR analogue synthesis, pharmacophore mapping and 3D-QSAR modeling of equilibrative nucleoside transporter 1 (ENT1) inhibitory activity.

Bioorg. Med. Chem. 16 , 3848-65, (2008)

Conformationally constrained analogue synthesis was undertaken to aid in pharmacophore mapping and 3D-QSAR analysis of nitrobenzylmercaptopurine riboside (NBMPR) congeners as equilibriative nucleoside...

Inhibitors of nucleoside transport. A structure-activity study using human erythrocytes.

J. Med. Chem. 18 , 968, (1975)

The passage of nucleosides across the plasma membrane of erythrocytes is a membrane-mediated process which is strongly inhibited by derivatives of 9-beta-D-ribofuranosylpurine (1) with S, O, or N atom...