5'-O-(4,4'-Dimethoxytrityl)-2'-deoxyuridine (5'-O-DMT-dU) is a novel inhibitor of Escherichia coli dUTP nucleotidyl hydrolase (dUTPase), Ki value Above 1000 μM. 5'-O-(4,4'-Dimethoxytrityl)-2'-deoxyuridine synthesizes nucleoside phosphoramidite blocks, which are used in machine-assisted DNA synthesis.

Physicochemical Properties

Molecular Formula	C30H30N2O7
Molecular Weight	530.57
Exact Mass	530.205
CAS #	23669-79-6
PubChem CID	90230
Appearance	White to light yellow solid powder
Density	1.294 g/cm3
Index of Refraction	1.61
LogP	3.21
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	39
Complexity	835
Defined Atom Stereocenter Count	3
SMILES	COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O
InChi Key	BYGKUWPLEGHFKX-ZRRKCSAHSA-N
InChi Code	InChI=1S/C30H30N2O7/c1-36-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(37-2)15-11-22)38-19-26-25(33)18-28(39-26)32-17-16-27(34)31-29(32)35/h3-17,25-26,28,33H,18-19H2,1-2H3,(H,31,34,35)/t25-,26+,28+/m0/s1
Chemical Name	1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
Synonyms	5'-O-DMT-dU; 5'-O-(4,4'-Dimethoxytrityl)-2'-deoxyuridine
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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	E. coli dUTPase ( Ki > 1000 μM )
References	[1]. Kinetic properties and inhibition of the dimeric dUTPase-dUDPase from Leishmania major. Protein Sci. 2001 Jul;10(7):1426-33. [2]. Versatile strategy for oligonucleotide derivatization. Introduction of lanthanide(III) chelates to oligonucleotides. Org Lett. 2001 Aug 9;3(16):2473-6.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~188.5 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.71 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 (4.71 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 (4.71 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	1.8848 mL	9.4238 mL	18.8477 mL
	5 mM	0.3770 mL	1.8848 mL	3.7695 mL
	10 mM	0.1885 mL	0.9424 mL	1.8848 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.