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6-Mercaptopurine-riboside-5'-triphosphate (aqueous solution) - ≥95%, high purity , CAS No.27652-34-2
Competitive T4 RNA ligase inhibitor
Basic Description
Synonyms
6-Thioinosine-5'-triphosphate | BDBM50594498 | 9H-Purine-6(1H)-thione, 9-beta-D-ribofuranosyl-, 5'-tetrahydrogen triphosphate | 6-thioinosine triphosphate | Inosine 5'-(tetrahydrogen triphosphate), 6-thio- | NSC 169530 | 9-beta-D-Ribofuranosyl-9H-purine-6
Specifications & Purity
≥95%
Biochemical and Physiological Mechanisms
ATP analog. Competitive inhibitor of the T4 RNA ligase adenylation reaction.
Storage Temp
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 6 months. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description
Application：
Competitive inhibitor of T4 RNA ligase；
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Purine nucleotides
Subclass
Purine ribonucleotides
Intermediate Tree Nodes
Not available
Direct Parent
Purine ribonucleoside triphosphates
Alternative Parents
Purine ribonucleoside monophosphates Pentose phosphates Glycosylamines Purinethiones Monosaccharide phosphates Pyrimidinethiones Monoalkyl phosphates N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purine ribonucleoside triphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Purinethione - Imidazopyrimidine - Purine - Monoalkyl phosphate - Pyrimidinethione - Alkyl phosphate - Pyrimidine - Phosphoric acid ester - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.
External Descriptors
organic molecule
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
INCHI
InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)31/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,22,23)(H,11,12,31)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
InChIKey
GQNRDWAOABGWGP-KQYNXXCUSA-N
Smiles
C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
Isomeric SMILES
C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
PubChem CID
3036942
Molecular Weight
524.22 (free acid)
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Supplied in water (10 mM)
Molecular Weight
524.230 g/mol
XLogP3
-4.400
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
8
Exact Mass
523.957 Da
Monoisotopic Mass
523.957 Da
Topological Polar Surface Area
284.000 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
886.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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