Name | 6-((4-nitrobenzyl)thio)-9-β -D-ribofuranosylpurine |
Synonyms | NBTI NBMPR -D-ribofuranosylpurine 4-nitrobenzylthioinosine 6-(p-nitrobenzylthio)inosine S-(4-NITROBENZYL)-6-THIOINOSINE S-(P-NITROBENZYL)-6-THIOINOSINE 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 |
EINECS | 253-753-4 |
InChI | InChI=1/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1 |
Molecular Formula | C17H17N5O6S |
Molar Mass | 419.41 |
Density | 1.3904 (rough estimate) |
Melting Point | 187-190°C(lit.) |
Boling Point | 770.2±70.0 °C(Predicted) |
Flash Point | 419.6°C |
Solubility | 0.1 M HCl: slightly soluble |
Vapor Presure | 5.89E-25mmHg at 25°C |
Appearance | solid |
Color | white |
pKa | 13.08±0.70(Predicted) |
Storage Condition | 2-8°C |
Refractive Index | 1.6460 (estimate) |
Safety Description | 24/25 - Avoid contact with skin and eyes. |
WGK Germany | 3 |
RTECS | UO9025000 |
HS Code | 29349990 |
use | extremely strong nucleoside transport inhibitor. In culture, NBMPR binds firmly but reversibly to tumor cell membrane sites associated with nucleoside transport mechanisms, thus being a useful tool for cancer research. |