| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Targets |
alpha-2,3-sialyltransferase-IN-1 targets alpha-2,3-sialyltransferase (also known as ST3Gal), a family of enzymes that catalyze the transfer of sialic acid to the terminal galactose of glycoproteins and glycolipids via an alpha-2,3-linkage. It acts as a noncompetitive inhibitor, with an IC50 of 6 uM. By inhibiting this enzyme, the compound reduces alpha-2,3-sialylation of cell surface glycoconjugates. Sialylation plays a critical role in cell-cell recognition, adhesion, and signaling, and is often dysregulated in cancer.
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| ln Vitro |
α-2,3-Sialyltransferase-IN-1 is referenced as compound 17 [1].
In vitro studies have shown that alpha-2,3-sialyltransferase-IN-1 is a noncompetitive inhibitor of alpha-2,3-sialyltransferase with an IC50 of 6 uM. It is a Lith-O-Asp analog. The compound's activity has been characterized in enzyme assays measuring the transfer of sialic acid from CMP-sialic acid to acceptor substrates. Its inhibition of sialyltransferase activity leads to reduced cell surface sialylation. The compound is used to study the role of alpha-2,3-sialylation in various biological processes, including tumor progression and immune evasion. |
| ln Vivo |
In vivo studies of alpha-2,3-sialyltransferase-IN-1 are limited, as the compound is primarily used as a research tool for in vitro studies. By inhibiting alpha-2,3-sialyltransferase, it could potentially modulate tumor progression, metastasis, and immune responses in animal models. However, specific in vivo efficacy data are not extensively reported. The compound's utility in vivo would depend on its bioavailability and stability. Further studies are needed to characterize its in vivo activity and therapeutic potential.
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| Enzyme Assay |
The in vitro enzyme assay for alpha-2,3-sialyltransferase-IN-1 involves measuring the activity of alpha-2,3-sialyltransferase in the presence of the compound. The enzyme (e.g., ST3Gal I, III, or IV) is incubated with a fluorescently or radioactively labeled acceptor substrate (e.g., asialofetuin or a glycopeptide) and CMP-sialic acid. The transfer of sialic acid to the acceptor is measured. Varying concentrations of the compound are added to determine the IC50 for inhibition. The IC50 of 6 uM is determined from dose-response curves. Data are analyzed using nonlinear regression.
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| Cell Assay |
In vitro cellular assays for alpha-2,3-sialyltransferase-IN-1 are conducted using cancer cell lines or other cells expressing alpha-2,3-sialyltransferases. Cells are treated with varying concentrations of the compound. Cell surface sialylation is assessed by flow cytometry using lectins that specifically recognize alpha-2,3-linked sialic acids (e.g., Maackia amurensis lectin, MAA). The effects on cell adhesion, migration, and invasion are evaluated using standard assays. Cell viability is assessed to ensure that the observed effects are not due to cytotoxicity. All experiments are performed in triplicate with appropriate controls.
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| Animal Protocol |
In vivo animal studies for alpha-2,3-sialyltransferase-IN-1 are not extensively reported. As a sialyltransferase inhibitor, it could be evaluated in mouse models of cancer metastasis or inflammation. Typical study designs would involve administration of the compound via intraperitoneal or oral routes in tumor-bearing mice. Tumor growth, metastasis, and immune cell infiltration would be monitored. However, specific published in vivo protocols for this compound are not available in the provided sources. The compound is primarily used as an in vitro research tool.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for alpha-2,3-sialyltransferase-IN-1 are not extensively reported. The compound has a molecular weight of 491.66 g/mol and a molecular formula of C28H45NO6. It is a Lith-O-Asp analog. Solubility and stability data are not provided in the available sources. For in vitro studies, it is typically dissolved in DMSO. Specific pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution are not available. The compound is for research use only.
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| Toxicity/Toxicokinetics |
Toxicology data for alpha-2,3-sialyltransferase-IN-1 are not extensively reported. As an inhibitor of sialyltransferase, the compound's safety profile would be related to its effects on sialylation, which is important for immune function, cell adhesion, and other physiological processes. Inhibition of sialylation could potentially lead to immune dysregulation or other off-target effects. Specific toxicity data, including LD50 values and organ toxicity profiles, are not available. The compound is for research use only.
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| References | |
| Additional Infomation |
alpha-2,3-sialyltransferase-IN-1 is a noncompetitive inhibitor of alpha-2,3-sialyltransferase with an IC50 of 6 uM. It is a Lith-O-Asp analog. The compound inhibits the sialylation of glycoproteins and glycolipids, which is involved in tumor progression and immune evasion. It has a molecular weight of 491.66 g/mol and a molecular formula of C28H45NO6. alpha-2,3-sialyltransferase-IN-1 is a research tool for studying glycosylation and sialylation biology.
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| Molecular Formula |
C28H45NO6
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|---|---|
| Molecular Weight |
491.660009145737
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| Exact Mass |
491.324
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| CAS # |
881179-06-2
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| PubChem CID |
11663206
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| Appearance |
White to off-white solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
35
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| Complexity |
830
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| Defined Atom Stereocenter Count |
10
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| SMILES |
C[C@@]12[C@@H]([C@H](C)CCC(=O)O)CC[C@H]1[C@@H]1CC[C@@H]3C[C@@H](CC[C@]3(C)[C@H]1CC2)OC(=O)[C@H](N)CC(=O)O
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| InChi Key |
NUUCRVJEHQBAKP-GCHQISOYSA-N
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| InChi Code |
InChI=1S/C28H45NO6/c1-16(4-9-24(30)31)20-7-8-21-19-6-5-17-14-18(35-26(34)23(29)15-25(32)33)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23H,4-15,29H2,1-3H3,(H,30,31)(H,32,33)/t16-,17-,18-,19+,20-,21+,22+,23-,27+,28-/m1/s1
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| Chemical Name |
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-[(2R)-2-amino-3-carboxypropanoyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic 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 : ≥ 103.7 mg/mL (~210.92 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0339 mL | 10.1696 mL | 20.3393 mL | |
| 5 mM | 0.4068 mL | 2.0339 mL | 4.0679 mL | |
| 10 mM | 0.2034 mL | 1.0170 mL | 2.0339 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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