| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg | |||
| Other Sizes |
| Targets |
O6-methylguanine-DNA-methyltransferase (MGMT). Glucose-conjugated MGMT inhibitor is a potent MGMT inhibitor with IC50s of 32 nM in vitro (cell extracts) and 10 nM in HeLa S3 cells.
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|---|---|
| ln Vitro |
O6BTG-octylglucoside exhibits a 32 nM IC50 in vitro (cell extract) and 10 nM in HeLa S3 cells, making it a powerful and non-toxic MGMT inhibitor [1].
Glucose-conjugated MGMT inhibitor is a potent MGMT inhibitor with IC50s of 32 nM in vitro (cell extracts) and 10 nM in HeLa S3 cells. The parent compound O6BTG has an IC50 of 9 nM in vitro. It is described as a powerful and non-toxic MGMT inhibitor. |
| ln Vivo |
No specific in vivo activity data is available for Glucose-conjugated MGMT inhibitor. As an MGMT inhibitor, it has potential for in vivo studies in cancer models, particularly for sensitizing tumors to alkylating agents that cause DNA damage at the O6 position of guanine.
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| Enzyme Assay |
In vitro enzyme assays for Glucose-conjugated MGMT inhibitor involve measuring its inhibition of MGMT activity using cell extracts or purified enzyme. MGMT activity is typically measured by its ability to remove methyl groups from O6-methylguanine in DNA substrates. IC50 values are determined from dose-response curves.
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| Cell Assay |
The in vitro cellular activity of Glucose-conjugated MGMT inhibitor is evaluated in cancer cell lines such as HeLa S3 cells. Cells are treated with the compound, and MGMT activity is measured. The compound's ability to sensitize cells to alkylating agents (e.g., temozolomide) can be assessed by measuring cell viability or DNA damage.
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| Animal Protocol |
No specific in vivo animal experimental protocols are available for Glucose-conjugated MGMT inhibitor. For studying MGMT inhibition in vivo, the compound would be administered to tumor-bearing mice, potentially in combination with alkylating agents. Endpoints would include tumor growth, survival, and MGMT activity in tumor tissues.
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| ADME/Pharmacokinetics |
Glucose-conjugated MGMT inhibitor has a molecular formula of C24H34BrN5O7S and a molecular weight of 616.53. It is also known as O6BTG-octylglucoside. The compound is a glucose-conjugated derivative designed to target MGMT.
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| Toxicity/Toxicokinetics |
Glucose-conjugated MGMT inhibitor is described as a potent and non-toxic MGMT inhibitor. No specific toxicological data is available beyond this description. Standard laboratory safety precautions should be observed.
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| References | |
| Additional Infomation |
Glucose-conjugated MGMT inhibitor (O6BTG-octylglucoside) is a potent and non-toxic MGMT inhibitor with IC50s of 32 nM in vitro and 10 nM in HeLa S3 cells. It is designed to target the DNA repair protein MGMT and has potential applications in cancer research. It is not approved for clinical use.
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| Molecular Formula |
C24H34N5O7SBR
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|---|---|
| Molecular Weight |
616.52506
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| Exact Mass |
615.136
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| CAS # |
382607-78-5
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| PubChem CID |
10438805
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| Appearance |
White to off-white solid powder
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| LogP |
1.898
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
38
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| Complexity |
709
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C1=C(SC=C1Br)COC2=NC(=NC3=C2N=CN3CCCCCCCCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)N
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| InChi Key |
WAAZBVOGWRQLMB-PUIBNRJISA-N
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| InChi Code |
InChI=1S/C24H34BrN5O7S/c25-14-9-15(38-12-14)11-36-22-17-21(28-24(26)29-22)30(13-27-17)7-5-3-1-2-4-6-8-35-23-20(34)19(33)18(32)16(10-31)37-23/h9,12-13,16,18-20,23,31-34H,1-8,10-11H2,(H2,26,28,29)/t16-,18-,19+,20-,23-/m1/s1
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| Chemical Name |
(2R,3R,4S,5S,6R)-2-[8-[2-amino-6-[(4-bromothiophen-2-yl)methoxy]purin-9-yl]octoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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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 |
| 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 : ~100 mg/mL (~162.20 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.05 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 (4.05 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.05 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 | 1.6220 mL | 8.1099 mL | 16.2198 mL | |
| 5 mM | 0.3244 mL | 1.6220 mL | 3.2440 mL | |
| 10 mM | 0.1622 mL | 0.8110 mL | 1.6220 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.
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