Peldesine (BCX 34) di-HCl is a potent, competitive, reversible and orally bioactive purine nucleoside phosphorylase (PNP) inhibitor (antagonist) with IC50 of 36 for human, rat and mouse red blood cell (RBC) PNP, respectively. nM, 5 nM and 32 nM. Peldesine di-HCl is also a T-cell proliferation/growth inhibitor (antagonist) with IC50 of 800 nM. Peldesine di-HCl may be utilized in the research of cutaneous T-cell lymphoma, psoriasis and HIV infection.

Physicochemical Properties

Molecular Formula	C12H12CLN5O
Molecular Weight	277.709580421448
Exact Mass	313.049
CAS #	2772702-10-8
Related CAS #	Peldesine;133432-71-0
PubChem CID	155819522
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	20
Complexity	370
Defined Atom Stereocenter Count	0
SMILES	C(C1=CN=CC=C1)C1=CNC2C(N=C(N)NC1=2)=O.Cl
InChi Key	HQJPQOLISXXDRJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H11N5O.2ClH/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);2*1H
Chemical Name	2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;dihydrochloride
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	IC50: 36 nM (Human RBC PNP), 5 nM (Rat RBC PNP), 32 nM (Mouse RBC PNP), and 800 nM (Human T-cell proliferation)[3] Ki: 23 nM (Human RBC PNP)[3] HIV[4]
ln Vitro	In the presence of dGuo (10 μM), pendelasine (BCX 34; 0-50 µM; 72 hours; Jurkat cells) may totally block T-cell proliferation at concentrations less than 10 μM. Peldesine, on the other hand, had no effect on B-cell proliferation[1]. Peldesine (BCX 34) reduces the T-cell immunological response without requiring IL-2, suggesting that it may influence the late rather than the early stages of T-cell activation [1]. Peldesine also inhibits the growth of human leukemia CCRF-CEM T-cells with an IC50 of 0.57 μM when deoxyguanosine is present, but not that of rat or mouse T-cells up to 30 μM[3].
Cell Assay	Cell Viability Assay[1] Cell Types: Jurkat cells Tested Concentrations: 0-50 µM Incubation Duration: 72 hrs (hours) Experimental Results: In the presence of 10 µM dCuo, had a complete inhibitory effect for T-cell lines.
References	[1]. BCX-34: a novel T-cell selective immunosuppressant: purine nucleoside phosphorylase (PNP) inhibitor. Artif Organs. 1996 Aug;20(8):849-52. [2]. A phase III, randomized, double-blind, placebo-controlled study of peldesine (BCX-34) cream as topical therapy for cutaneous T-cell lymphoma. J Am Acad Dermatol. 2001 Jun;44(6):940-7. [3]. In vivo and in vitro pharmacologic activity of the purine nucleoside phosphorylase inhibitor BCX-34: the role of GTP and dGTP. Immunopharmacology. 1996 Oct;35(1):53-63. [4]. New AIDS study suppresses T cells to stop viral growth. AIDS Alert. 1997 Jul;12(7):77-8.

Solubility Data

Solubility (In Vitro)

DMSO : 200 mg/mL (636.60 mM) H2O : 33.33 mg/mL (106.09 mM)

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.6009 mL	18.0044 mL	36.0088 mL
	5 mM	0.7202 mL	3.6009 mL	7.2018 mL
	10 mM	0.3601 mL	1.8004 mL	3.6009 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.