4-NITROBENZYLTHIOINOSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H17N5O6S
Molecular Weight	419.412
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C(SCC4=CC=C(C=C4)[N+]([O-])=O)N=CN=C23

InChI

InChIKey=DYCJFJRCWPVDHY-LSCFUAHRSA-N

InChI=1S/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

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Equilibrative nucleoside transporter 1 7 Target ID: CHEMBL1997 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10722669\|https://www.ncbi.nlm.nih.gov/pubmed/17636949	Inhibitor 8297		0.4 nM [IC50]
Adenosine A3 receptor 24 Target ID: CHEMBL256 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16250647	Antagonist 2778		0.3 nM [IC50]

Name

Type

Language

4-NITROBENZYLTHIOINOSINE

Systematic Name

English

INOSINE, 6-S-((4-NITROPHENYL)METHYL)-6-THIO-

Systematic Name

English

6-((4-NITROBENZYL)THIO)-9-.BETA.-D-RIBOFURANOSYLPURINE

Systematic Name

English

NSC-296962

Code

English

NBMPR

Common Name

English

6-((4-NITROBENZYL)THIO)INOSINE

Systematic Name

English

S-(P-NITROBENZYL)-6-MERCAPTO-9-.BETA.-D-RIBOFURANOSYLPURINE

Systematic Name

English

S-(4-NITROBENZYL)-6-THIOINOSINE

Systematic Name

English

Code System Code Type Description

PUBCHEM

65407

Created by admin on Fri Dec 15 19:39:13 GMT 2023 , Edited by admin on Fri Dec 15 19:39:13 GMT 2023

PRIMARY

ECHA (EC/EINECS)

253-753-4

Created by admin on Fri Dec 15 19:39:12 GMT 2023 , Edited by admin on Fri Dec 15 19:39:12 GMT 2023

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EPA CompTox

DTXSID2040947

Created by admin on Fri Dec 15 19:39:13 GMT 2023 , Edited by admin on Fri Dec 15 19:39:13 GMT 2023

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CAS

38048-32-7

Created by admin on Fri Dec 15 19:39:12 GMT 2023 , Edited by admin on Fri Dec 15 19:39:12 GMT 2023

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NSC

296962

Created by admin on Fri Dec 15 19:39:13 GMT 2023 , Edited by admin on Fri Dec 15 19:39:13 GMT 2023

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FDA UNII

GV1L2DZM2Z

Created by admin on Fri Dec 15 19:39:13 GMT 2023 , Edited by admin on Fri Dec 15 19:39:13 GMT 2023

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SUBSTANCE RECORD


					GV1L2DZM2Z

4-NITROBENZYLTHIOINOSINE