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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Peldesine (BCX 34) is a potent, competitive, reversible and orally active purine nucleoside phosphorylase (PNP) inhibitor with IC 50 s of 36 nM, 5 nM, and 32 nM for human, rat, and mouse red blood cell (RBC) PNP , respectively. Peldesine is also a T-cell proliferation inhibitor with an IC 50 of 800 nM. Peldesine has the potential for cutaneous T-cell lymphoma, psoriasis and HIV infection research
In Vitro
Peldesine (BCX 34; 0-50 µM; 72 hours; Jurkat cells) could inhibit the T-cell proliferation completely at a concentration of less than 10 μM, in the presence of dGuo (10 μM). In contrast, the B-cell proliferation is not affected by Peldesine. Peldesine (BCX 34) suppresses T-cell immune reaction in an IL-2-independent manner, and this means that Peldesine might affect a late phase rather than an early stage in T-cell activation. Peldesine also, in the presence but not in the absence of deoxyguanosine, inhibits human leukemia CCRF-CEM T-cell proliferation with an IC 50 of 0.57 μM but not rat or mouse T-cell proliferation up to 30 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: Jurkat cells Concentration: 0 µM, 10 µM, 20 µM, 30 µM, 40 µM, 50 µM Incubation Time: 72 hours Result: In the presence of 10 µM dCuo, had a complete inhibitory effect for T-cell lines.
In Vivo
Oral bioavailability of Peldesine in rats is 76%. Peldesine is orally active in elevating plasma inosine in rats (2-fold at 30 mg/kg), in suppressing ex vivo RBC PNP activity in rats (98% at 3 h. 100 mg/kg), and in suppressing ex vivo skin PNP in mice (39% at 3 h, 100 mg/kg). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 36 nM (Human RBC PNP), 5 nM (Rat RBC PNP), 32 nM (Mouse RBC PNP), and 800 nM (Human T-cell proliferation), Ki: 23 nM (Human RBC PNP),HIV
| Sonrisas canónicas | C1=CC(=CN=C1)CC2=CNC3=C2N=C(NC3=O)N |
|---|---|
| IUPAC Name | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one |
| InChIKey | DOHVAKFYAHLCJP-UHFFFAOYSA-N |
| INCHI | 1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18) |
| Isómeros SMILES | C1=CC(=CN=C1)CC2=CNC3=C2N=C(NC3=O)N |
| CAS alternativo | 133432-71-0 |
| PubChem CID | 135413525 |
| Términos de entrada MeSH | 9-(3-pyridylmethyl)-7H-9-deazaguanine;BCX 34;BCX-34;peldesine |
| Peso molecular | 241.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyrimidines |
| Alternative Parents | Pyrimidones Aminopyrimidines and derivatives Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrimidine - Aminopyrimidine - Pyrimidone - Pyridine - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
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| Solubilidad | DMSO : 200 mg/mL (829.02 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 241.250 g/mol |
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 241.096 Da |
| Monoisotopic Mass | 241.096 Da |
| Topological Polar Surface Area | 96.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 369.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |