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NBTGR

CAT: 0804-HY-108322-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-108322-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NBTGR (p-Nitrobenzylthioguanosine) is a potent inhibitor of nucleoside transport; inhibits adenosine uptake with a Ki of 70 nM.
CAS Number
13153-27-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/NBTGR.html
Purity
99.13
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=C(N)N=C3SCC4=CC=C([N+]([O-])=O)C=C4)O1)O)O
Molecular Formula
C17H18N6O6S
Molecular Weight
434.43
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Turnheim K, et al. Inhibition of adenosine uptake in human erythrocytes by adenosine-5'-carboxamides, xylosyladenine, dipyridamole, hexobendine, and p-nitrobenzylthioguanosine. Biochem Pharmacol. 1978;27 (18) :2191-7.|[2]Parterson A, et al. Nucleoside Transport II Inhibition by p-Nitrobeazylthiogoanosine and Related Compounds. Can. J. Biochem. 49,271-274 (1971)
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-(4-Nitrobenzylthio)guanosine

inhibitor of nucleoside transport

CAS Number13153-27-0
PubChem CID96048
IUPAC Name(2R,3R,4S,5R)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC17H18N6O6S
Molecular Weight434.4
XLogP1.1
Topological Polar Surface Area211
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity608
SMILES
C1=CC(=CC=C1CSC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)[N+](=O)[O-]
InChI
InChI=1S/C17H18N6O6S/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(5-24)29-16)15(21-17)30-6-8-1-3-9(4-2-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
InChIKey
BRSNNJIJEZWSBU-XNIJJKJLSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-Nitrobenzylthio)guanosine
CAS: 13153-27-0
CID: 96048
Formula: C17H18N6O6S
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass434.10085349
Monoisotopic Mass434.10085349
Topological Polar Surface Area211 Ų
Heavy Atom Count30
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T12191-01NBTGR
A13489-50NBTGR 50mg
A13489-25NBTGR 25mg
A13489-100NBTGR 100mg
A13489-10NBTGR 10mg
A13489-5NBTGR 5mg
A13489-2NBTGR 2mg
A13489-10mM-DNBTGR 10mM * 1mL in DMSO

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