CAS 38048-32-7|Nitrobenzylthioinosine

Introduction:Basic information about CAS 38048-32-7|Nitrobenzylthioinosine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameNitrobenzylthioinosine
CAS Number38048-32-7Molecular Weight419.412
Density1.8±0.1 g/cm3Boiling Point770.2±70.0 °C at 760 mmHg
Molecular FormulaC17H17N5O6SMelting Point187-190 °C(lit.)
MSDSChineseUSAFlash Point419.6±35.7 °C

Names

NameS-(4-Nitrobenzyl)-6-thioinosine
SynonymMore Synonyms

Nitrobenzylthioinosine BiologicalActivity

DescriptionNitrobenzylthioinosine is an ENT1 transporter inhibitor that binds to ENT1 transporter with high affinity. Nitrobenzylthioinosine is a photoaffinity probe for adenosine uptake sites in brain. Nitrobenzylthioinosine can cross the blood-brain barrier[1][2][3].
Related CatalogResearch Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>Adenosine Receptor
Target

ENT1 transporter[1]

References

[1]. Lauri Alanko, et al. Nitrobenzylthioinosine (NBMPR) binding and nucleoside transporter ENT1 mRNA expression after prolonged wakefulness and recovery sleep in the cortex and basal forebrain of rat. J Sleep Res. 2003 Dec;12(4):299-304.

[2]. C M Anderson, et al. Ability of nitrobenzylthioinosine to cross the blood-brain barrier in rats. Neurosci Lett. 1996 Nov 29;219(3):191-4.

[3]. P J Marangos, et al. [3H]nitrobenzylthioinosine is a photoaffinity probe for adenosine uptake sites in brain. Eur J Pharmacol. 1982 Dec 3;85(3-4):359-60.

Chemical & Physical Properties

Density1.8±0.1 g/cm3
Boiling Point770.2±70.0 °C at 760 mmHg
Melting Point187-190 °C(lit.)
Molecular FormulaC17H17N5O6S
Molecular Weight419.412
Flash Point419.6±35.7 °C
Exact Mass419.089966
PSA184.64000
LogP1.20
Appearance of Characterssolid | white
Vapour Pressure0.0±2.8 mmHg at 25°C
Index of Refraction1.808
InChIKeyDYCJFJRCWPVDHY-LSCFUAHRSA-N
SMILESO=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3C2OC(CO)C(O)C2O)cc1
Storage condition2-8°C
Water Solubility0.1 M HCl: slightly soluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO9025000
CHEMICAL NAME :
9H-Purine, 6-(((4-nitrophenyl)methyl)thio)-9-beta-D-ribofuranosy l-
CAS REGISTRY NUMBER :
38048-32-7
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C17-H17-N5-O6-S
MOLECULAR WEIGHT :
419.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
8 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 43,1616,1983

Safety Information

Personal Protective EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Safety PhrasesS24/25
RIDADRNONH for all modes of transport
WGK Germany3
RTECSUO9025000

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Synonyms

{6-[(4-Nitrobenzyl)thio]-9-β-D-ribofuranosylpurine}
NBMPR
6-[(4-Nitrobenzyl)sulfanyl]-9-(β-D-ribofuranosyl)-9H-purine
S-(4-Nitrobenzyl)-6-thioinosine
EINECS 253-753-4
MFCD00005745
6-S-[(4-Nitrophenyl)methyl]-6-thioinosine
NBTI
6-[(4-Nitrobenzyl)thio]-9-β-D-ribofuranosylpurine
9H-Purine, 6-[[(4-nitrophenyl)methyl]thio]-9-β-D-ribofuranosyl-
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