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6-Thio-GTP

CAT: 0804-HY-131598-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131598-01Size:1 mg
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Description
6-Thio-GTP is an analogue of GTP, and a metabolite of an immunosuppressive drug, Azathioprine.
CAS Number
17670-19-8
Product Name Alternative
6-Thioguanosine-5'-triphosphate
UNSPSC
12352005
Target
Ras
Type
Reference compound
Related Pathways
GPCR/G Protein; MAPK/ERK Pathway
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/6-thio-gtp.html
Smiles
O[C@H]1[C@@H](O)[C@H](N(C=N2)C3=C2C(NC(N)=N3)=S)O[C@@H]1COP(OP(OP(O)(O)=O)(O)=O)(O)=O
Molecular Formula
C10H16N5O13P3S
Molecular Weight
539.25
References & Citations
[1]Hawwa AF, et al. Pharmacogenomic studies of the anticancer and immunosuppressive thiopurines mercaptopurine and azathioprine. Br J Clin Pharmacol. 2008 Oct;66 (4) :517-28.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-Thioguanosine 5'-triphosphate
CAS Number17670-19-8
PubChem CID10143562
IUPAC Name[[(2R,3S,4R,5R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC10H16N5O13P3S
Molecular Weight539.25
XLogP-5
Topological Polar Surface Area310
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity932
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=S)N
InChI
InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(32)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-3,5-6,9,16-17H,1H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,32)/t3-,5-,6-,9-/m1/s1
InChIKey
QENYANNAQSWPLM-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of 6-Thioguanosine 5'-triphosphate
CAS: 17670-19-8
CID: 10143562
Formula: C10H16N5O13P3S
MW: 539.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight539.25
XLogP3-5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass538.96781775
Monoisotopic Mass538.96781775
Topological Polar Surface Area310 Ų
Heavy Atom Count32
Formal Charge0
Complexity932
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