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| Other Sizes |
| Targets |
5'-O-DMT-N4-Bz-5-Me-dC does not have a specific biological target as it is a synthetic building block for oligonucleotide synthesis. Its role is to serve as a protected 5-methyl-2'-deoxycytidine monomer for the synthesis of modified oligonucleotides. The 5-methyl modification on the cytosine base is an important epigenetic mark (5-methylcytosine, 5mC) that can be incorporated into synthetic DNA for research purposes.
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|---|---|
| ln Vitro |
In vitro activity is not applicable to 5'-O-DMT-N4-Bz-5-Me-dC as it is a synthetic intermediate. Its utility is demonstrated in its ability to be incorporated into oligonucleotides through solid-phase synthesis. The compound enables the preparation of modified oligonucleotides containing 5-methylcytosine for research into epigenetics, gene regulation, and nucleic acid interactions.
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| ln Vivo |
In vivo activity is not applicable to 5'-O-DMT-N4-Bz-5-Me-dC as it is a chemical reagent for research use only, not a therapeutic agent. The compound is not intended for administration to living organisms.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not performed for 5'-O-DMT-N4-Bz-5-Me-dC, as it is a synthetic intermediate. Its characterization typically involves chemical analysis methods such as HPLC, NMR, and mass spectrometry to confirm identity and purity.
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| Cell Assay |
In vitro cellular assays are not applicable to 5'-O-DMT-N4-Bz-5-Me-dC. The compound is used exclusively in chemical synthesis reactions for the production of modified oligonucleotides, which can subsequently be used in cellular assays to study the effects of 5-methylcytosine modifications on gene expression and nucleic acid interactions.
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| Animal Protocol |
In vivo animal experiments are not applicable to 5'-O-DMT-N4-Bz-5-Me-dC. The compound is a research chemical used in oligonucleotide synthesis and is not intended for in vivo administration.
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| ADME/Pharmacokinetics |
Pharmacokinetic data are not applicable to 5'-O-DMT-N4-Bz-5-Me-dC as it is a synthetic intermediate, not a therapeutic agent. The compound is not intended for systemic administration. It has a molecular weight of 635.70 and a molecular formula of C38H37N3O7. Purity is typically >98%.
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| Toxicity/Toxicokinetics |
5'-O-DMT-N4-Bz-5-Me-dC is not intended for human therapeutic use, and toxicological data are not applicable as it is a research chemical. Standard laboratory safety precautions should be followed when handling this compound.
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| Additional Infomation |
5'-O-DMT-N4-Bz-5-Me-dC (CAS#: 104579-03-5) has the molecular formula C38H37N3O7 and a molecular weight of 635.70. It is a fully protected 5-methyl-2'-deoxycytidine derivative used as a key synthetic intermediate for 5-methyl-dC phosphoramidite building blocks in solid-phase oligonucleotide synthesis. The compound is used in epigenetics and gene regulation research.
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| Molecular Formula |
C38H37N3O7
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|---|---|
| Molecular Weight |
647.72
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| Exact Mass |
647.263
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| CAS # |
104579-03-5
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| PubChem CID |
11331209
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| Appearance |
White to off-white solid powder
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| Density |
1.26±0.1 g/cm3(Predicted)
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| LogP |
5.551
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
48
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| Complexity |
1120
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)[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
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| InChi Key |
YWHPQMVQHSPNRU-LBFZIJHGSA-N
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| InChi Code |
InChI=1S/C38H37N3O7/c1-25-23-41(37(44)40-35(25)39-36(43)26-10-6-4-7-11-26)34-22-32(42)33(48-34)24-47-38(27-12-8-5-9-13-27,28-14-18-30(45-2)19-15-28)29-16-20-31(46-3)21-17-29/h4-21,23,32-34,42H,22,24H2,1-3H3,(H,39,40,43,44)/t32-,33+,34+/m0/s1
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| Chemical Name |
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : 41.67 mg/mL (64.33 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.21 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 20.8 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: ≥ 2.08 mg/mL (3.21 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5439 mL | 7.7194 mL | 15.4388 mL | |
| 5 mM | 0.3088 mL | 1.5439 mL | 3.0878 mL | |
| 10 mM | 0.1544 mL | 0.7719 mL | 1.5439 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.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.