5'-O-DMT-N2-ibu-dG (N2-Isobutyryl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyguanosine) is a deoxynucleoside that can be used for oligonucleotides preparation.

Physicochemical Properties

Molecular Formula	C35H37N5O7
Molecular Weight	639.70
Exact Mass	639.269
Elemental Analysis	C, 65.72; H, 5.83; N, 10.95; O, 17.51
CAS #	68892-41-1
PubChem CID	135445746
Appearance	White to off-white solid powder
Density	1.35 g/cm3
Melting Point	~150 °C (dec.)(lit.)
Index of Refraction	1.65
LogP	4.461
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Heavy Atom Count	47
Complexity	1080
Defined Atom Stereocenter Count	3
SMILES	CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChi Key	RMQXDNUKLIDXOS-ZGIBFIJWSA-N
InChi Code	InChI=1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1
Chemical Name	N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Synonyms	5'-O-DMT-N2-ibu-dG; iBu-DMT-dG; 5'-O-DMT-N2-Isobutyryl-2'-Deoxyguanosine
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

References

[1]. Synthesis of oligonucleotides. WO2008141682A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~156.3 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.91 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 (3.91 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	1.5632 mL	7.8162 mL	15.6323 mL
	5 mM	0.3126 mL	1.5632 mL	3.1265 mL
	10 mM	0.1563 mL	0.7816 mL	1.5632 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.