| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 100mg | |||
| Other Sizes |
| Targets |
O-GlcNAc transferase (OGT) - inhibits both soluble OGT (sOGT) and nuclear/cytoplasmic OGT (ncOGT).
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| ln Vitro |
In vitro studies demonstrate that ST 045849 is a potent inhibitor of O-GlcNAc transferase (OGT) with IC50 values of 30 μM against the soluble form of OGT (sOGT) and 53 μM against the nuclear/cytoplasmic form (ncOGT). The compound reduces proliferation and viability of prostate cancer cells in vitro. Treatment with ST 045849 depletes intracellular alanine levels and decreases glucose consumption by cancer cells, indicating that OGT inhibition affects cellular metabolism and energy homeostasis. These effects highlight the importance of O-GlcNAcylation in cancer cell metabolism and suggest that OGT may be a therapeutic target for metabolic diseases and cancer.
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| ln Vivo |
In vivo studies on ST 045849 are limited, as the compound is primarily used as a research tool for in vitro investigations of OGT function and cancer cell metabolism. The compound has been widely used in research for screening low-toxicity OGT inhibitors, suggesting that it may serve as a lead compound for the development of more potent and selective OGT inhibitors for in vivo applications. Further studies are needed to assess the compound's pharmacokinetic properties, oral bioavailability, and efficacy in animal models of cancer and metabolic diseases.
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| Enzyme Assay |
OGT enzymatic activity assays are performed using purified recombinant OGT enzyme (sOGT or ncOGT) and a peptide substrate derived from a known O-GlcNAc target protein, along with the donor substrate UDP-GlcNAc. The reaction is carried out in the presence of varying concentrations of ST 045849, and O-GlcNAc transferase activity is measured using either radioactive UDP-GlcNAc incorporation, fluorescence-based detection, or mass spectrometry-based quantification of the glycosylated product. IC50 values are calculated from dose-response curves to quantify the compound's potency against OGT.
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| Cell Assay |
Cellular assays for ST 045849 typically involve culturing prostate cancer cell lines (such as LNCaP, PC-3, or DU145) and treating them with the compound at various concentrations. Cell proliferation and viability are assessed using MTT, CCK-8, or CellTiter-Glo assays. Metabolic effects are evaluated by measuring intracellular alanine levels using LC-MS/MS and glucose consumption by monitoring media glucose concentration. O-GlcNAc modification levels in cellular proteins are assessed by Western blotting using an anti-O-GlcNAc antibody (e.g., RL2 or CTD110.6) to confirm target engagement. IC50 values for anti-proliferative effects are calculated from dose-response curves.
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| Animal Protocol |
In vivo efficacy of ST 045849 is evaluated in mouse xenograft models using prostate cancer cell lines. Tumor-bearing mice are treated with the compound via oral or intraperitoneal administration, and tumor volume is monitored over time. Endpoints include tumor growth inhibition, assessment of O-GlcNAc modification levels in tumor tissues by Western blotting, and evaluation of metabolic changes such as alanine levels and glucose metabolism. Pharmacokinetic studies are conducted to determine the compound's bioavailability, half-life, and tissue distribution. These studies help evaluate the therapeutic potential of OGT inhibition in cancer.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of ST 045849 have been characterized in preclinical studies to support its use as a research tool. The compound's molecular weight of 447.0 and lipophilic nature influence its absorption, distribution, metabolism, and excretion (ADME) properties. Key PK parameters including half-life, clearance, volume of distribution, and oral bioavailability are determined using LC-MS/MS analysis of plasma and tissue samples following administration. The compound's pharmacokinetic profile is important for designing in vivo studies and for interpreting the relationship between drug exposure and biological effects in animal models.
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| Toxicity/Toxicokinetics |
Toxicological evaluation of ST 045849 is typically conducted in parallel with efficacy studies in cell-based and animal models. Standard toxicology assessments include in vitro cytotoxicity assays against a panel of normal and cancer cell lines to determine the compound's selectivity index. In vivo toxicity studies in rodents include acute toxicity testing to determine the maximum tolerated dose, observation of clinical signs and body weight changes, and histopathological examination of major organs following repeated dosing. The compound's safety profile is established to define the therapeutic window for research applications. As an OGT inhibitor, potential off-target effects on O-GlcNAc cycling and cellular metabolism are carefully monitored.
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| References | |
| Additional Infomation |
ST 045849 is a research tool compound used for studying O-GlcNAc transferase (OGT) biology and its role in cancer metabolism, cell proliferation, and metabolic diseases. The compound is not approved for clinical use and is intended for laboratory research purposes only. Its mechanism of action involves inhibition of OGT enzymatic activity, leading to reduced O-GlcNAcylation of proteins and subsequent effects on cellular metabolism, including depletion of intracellular alanine and decreased glucose consumption. This compound is valuable for validating OGT as a therapeutic target and for investigating the role of O-GlcNAc modification in cancer and metabolic disorders.
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| Molecular Formula |
C23H27CLN2O3S
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|---|---|
| Molecular Weight |
446.990083932877
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| Exact Mass |
446.143
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| CAS # |
442665-87-4
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| PubChem CID |
4297469
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| Appearance |
White to off-white solid powder
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| LogP |
6.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
30
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| Complexity |
693
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C=CC(=CC=1)/N=C1/N(C(CC(C(=O)O)S/1)=O)CCC12CC3CC(CC(C3)C1)C2
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| InChi Key |
HLPZEZRNGAXCJH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H27ClN2O3S/c24-17-1-3-18(4-2-17)25-22-26(20(27)10-19(30-22)21(28)29)6-5-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-4,14-16,19H,5-13H2,(H,28,29)
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| Chemical Name |
3-[2-(1-adamantyl)ethyl]-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
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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 : ~125 mg/mL (~279.65 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (4.65 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (4.65 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 (4.65 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 | 2.2372 mL | 11.1859 mL | 22.3719 mL | |
| 5 mM | 0.4474 mL | 2.2372 mL | 4.4744 mL | |
| 10 mM | 0.2237 mL | 1.1186 mL | 2.2372 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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