Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
5-Iodotubercidin(NSC 113939; 5-ITu) is a potent adenosine kinase inhibitor (IC50 = 26 nM).
A potent and competitive inhibitor of ERK2, PKA, and ADK.
| Pubchem Sid | 528761997 |
|---|---|
| Sorrisos canónicos | C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)I |
| IUPAC Name | (2R,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| InChIKey | WHSIXKUPQCKWBY-IOSLPCCCSA-N |
| INCHI | 1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 |
| SMILES isoméricas | C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I |
| Peso molecular | 392.15 |
| Reaxy-Rn | 24869293 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24869293&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Classe | Pyrrolopyrimidine nucleosides and nucleotides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyrimidine nucleosides and nucleotides |
| Alternative Parents | Glycosylamines Pentoses Pyrrolo[2,3-d]pyrimidines Aminopyrimidines and derivatives Substituted pyrroles Aryl iodides Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organoiodides Organopnictogen compounds Primary alcohols Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrimidine ribonucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Aminopyrimidine - Aryl halide - Aryl iodide - Monosaccharide - Pyrimidine - Substituted pyrrole - Imidolactam - Heteroaromatic compound - Pyrrole - Tetrahydrofuran - Secondary alcohol - Azacycle - Organoheterocyclic compound - Oxacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Amine - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as pyrrolopyrimidine nucleosides and nucleotides. These are nucleoside derivatives containing a ribose derivative which is n-glycosylated to a pyrrolopyrimidine. Also called deazapurine nucleosides, they are analogs of purine nucleosides with the N atom of the purine being replaced by a C atom at position 7. |
| External Descriptors | organoiodine compound |
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| Sensibilidade | light sensitive |
|---|---|
| Índice de refração | n20D 1.92 (Predicted) |
| Ponto de ebulição (°C) | 701.48° C at 760 mmHg (Predicted) |
| Ponto de fusão (°C) | 216-217° C |
| Peso molecular | 392.150 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 391.998 Da |
| Monoisotopic Mass | 391.998 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 |