2'-deoxyadenosine can inhibit the growth of human cancer/tumor cell lines and was found to be related to purine nucleoside phosphorylase (PNP) deficiency.

Physicochemical Properties

Molecular Formula	C10H12N4O4
Molecular Weight	252.2267
Exact Mass	252.085
CAS #	890-38-0
PubChem CID	135398593
Appearance	White to off-white solid powder
Density	1.9±0.1 g/cm3
Boiling Point	620.6±65.0 °C at 760 mmHg
Melting Point	250 °C
Flash Point	329.1±34.3 °C
Vapour Pressure	0.0±1.9 mmHg at 25°C
Index of Refraction	1.837
LogP	-1.43
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Complexity	377
Defined Atom Stereocenter Count	3
SMILES	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O
InChi Key	VGONTNSXDCQUGY-RRKCRQDMSA-N
InChi Code	InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
Chemical Name	9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
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
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

ln Vitro	2'-deoxyadenosine is mostly deaminated to 2'-deoxyinosine and subsequently transformed into hypoxanthine in the absence of deoxycoformycin. Adenine is produced when the deoxynucleoside experiences phosphorolytic cleavage in the presence of the inhibitor, in addition to phosphorylation. When the activity of adenosine deaminase is blocked or decreased, the conversion of 2'-deoxyadenosine to adenine may arise as a defensive mechanism. Many signs point to the possibility that the enzyme enacting this process is different from methylthioadenosine phosphorylase and S-adenosyl homocysteine hydrolase, the enzymes known to be involved in the mammalian conversion of 28-deoxyadenosine to adenine[1].
References	[1]. Deoxyadenosine metabolism in a human colon-carcinoma cell line (LoVo) in relation to its cytotoxic effect in combination with deoxycoformycin. Int J Cancer. 1998 Mar 2;75(5):713-20.
Additional Infomation	2'-deoxyinosine is a purine 2'-deoxyribonucleoside that is inosine in which the hydroxy group at position 2' is replaced by a hydrogen. It has a role as a Saccharomyces cerevisiae metabolite, a human metabolite, a plant metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a purines 2'-deoxy-D-ribonucleoside and a purine 2'-deoxyribonucleoside. It is functionally related to an inosine. Deoxyinosine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). 2'-Deoxyinosine has been reported in Drosophila melanogaster, Arabidopsis thaliana, and other organisms with data available. 2'-Deoxyinosine is a metabolite found in or produced by Saccharomyces cerevisiae.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~198.23 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.91 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.91 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (9.91 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.9646 mL	19.8232 mL	39.6464 mL
	5 mM	0.7929 mL	3.9646 mL	7.9293 mL
	10 mM	0.3965 mL	1.9823 mL	3.9646 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.