S-(4-Nitrobenzyl)-6-thioinosine

Also known as: Nitrobenzylthioinosine, 6-[(4-Nitrobenzyl)thio]-9-β-D-ribofuranosylpurine, 4-Nitrobenzylthioinosine, 6-(((4-Nitrophenyl)methyl)thio)-9-beta-D-ribofuranosyl-9H-purine, 6-(p-Nitrobenzylthio)inosine, 6-S-[(4-Nitrophenyl)methyl]-6-thioinosine, S-(p-Nitrobenzyl)-6-thioinosine, NBMPR, NBTI

S-(4-Nitrobenzyl)-6-thioinosine (CAS 38048-32-7) is a compound in the Nitrogen Compounds category listed in the Jingsj chemical database. It has the molecular formula C17H17N5O6S and a molecular weight of 419.412 g/mol. Key properties include a melting point of 187-190 °C(lit.), a boiling point of 770.2±70.0 °C at 760 mmHg, a density of 1.8±0.1 g/cm3 and a flash point of 419.6±35.7 °C. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 38048-32-7
Jingsj CID: J-1991459-8
Molecular Formula: C₁₇H₁₇N₅O₆S
Molecular Weight: 419.412 g/mol
Category: Nitrogen Compounds
Last updated: 8/21/2026

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Physicochemical Properties

Melting Point	187-190 °C(lit.)
Boiling Point	770.2±70.0 °C at 760 mmHg
Density	1.8±0.1 g/cm3
Flash Point	419.6±35.7 °C
Exact Mass	419.089966
PSA	184.64000
LogP	1.20
Appearance	solid \| white
Vapor Pressure	0.0±2.8 mmHg at 25°C
Refractive Index	1.808
Additional Property	0.1 M HCl: slightly soluble

Activity & Biological Data

Target	ENT1 transporter[1]
Additional Information	[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.

Target

ENT1 transporter[1]

Additional Information

[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.

Frequently Asked Questions

What is the CAS number of S-(4-Nitrobenzyl)-6-thioinosine?

The CAS number of S-(4-Nitrobenzyl)-6-thioinosine is 38048-32-7.

What are the molecular formula and molecular weight of S-(4-Nitrobenzyl)-6-thioinosine?

S-(4-Nitrobenzyl)-6-thioinosine has molecular formula C17H17N5O6S and molecular weight 419.412 g/mol.

What are the upstream and downstream products of S-(4-Nitrobenzyl)-6-thioinosine?

For S-(4-Nitrobenzyl)-6-thioinosine, Upstream Products: 6-Chloropurine riboside, 6-Chloropurine, 1-O-Acetyl-2,3,5-tri-O-benzoyl-D-ribofuranose; Downstream Products: 4-Nitrotoluene, 6-mercaptopurine riboside, 4-Nitrobenzeneethanol.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "S-(4-Nitrobenzyl)-6-thioinosine (CAS 38048-32-7)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1991459-8 (accessed 2026-11-06).

Data for reference only; verify product details with suppliers before purchase.