Peldesine

Category	Human immunodeficiency Virus (HIV)
CAS	133432-71-0
Description	Peldesine is a potent, competitive, reversible and orally active inhibitor of purine nucleoside phosphorylase (PNP) with IC50s of 36, 5 and 32 nM for human, rat and mouse red blood cell (RBC) PNP, respectively. It is also a T-cell proliferation inhibitor (IC50 = 800 nM), and has the potential for the study of cutaneous T-cell lymphoma, psoriasis and HIV infection.

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Product Information

Synonyms	BCX 34; 4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-amino-3,5-dihydro-7-(3-pyridinylmethyl)-; 2-Amino-3,5-dihydro-7-(3-pyridylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one; 2-Amino-7-(3-pyridinylmethyl)-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
IUPAC Name	2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Molecular Weight	241.25
Molecular Formula	C12H11N5O
Canonical SMILES	C1=CC(=CN=C1)CC2=CNC3=C2NC(=NC3=O)N
InChI	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)
InChIKey	DOHVAKFYAHLCJP-UHFFFAOYSA-N
Boiling Point	534°C at 760 mmHg
Flash Point	276.7°C
Purity	95%
Density	1.57±0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	Solid Powder
Storage	Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years)
Complexity	370
Exact Mass	241.09635999
Index Of Refraction	1.794
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 IC50 of 0.57 μM but not rat or mouse T-cell proliferation up to 30 μM.
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).
PSA	101.44000
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
Vapor Pressure	1.76E-11mmHg at 25°C
XLogP3-AA	0.1