| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg | |||
| Other Sizes |
| Targets |
HEX3 targets the adenoviral hexon protein, which is the major capsid protein of the adenovirus. As a fragment of this protein, HEX3 is used to study the structure and function of the adenoviral capsid, including viral assembly, stability, and host cell interactions. In the context of beta-hexosaminidase 3, HEX3 targets enzymes involved in glycolipid metabolism by catalyzing the hydrolysis of glycosidic bonds. This makes HEX3 a valuable tool for studying neurodegenerative diseases where glycolipid metabolism is dysregulated.
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| ln Vitro |
In vitro studies on HEX3 are primarily focused on its use as a research tool for studying adenovirus biology. As a fragment of the adenoviral hexon protein, HEX3 is used in biochemical assays to investigate protein-protein interactions, capsid assembly, and viral entry mechanisms. When referring to beta-hexosaminidase 3 inhibitors, HEX3 is used to modulate intracellular glycolipid levels in cell culture models of neurodegenerative diseases. However, specific in vitro activity data such as IC50 values are not widely available in the published literature for this compound.
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| ln Vivo |
In vivo studies on HEX3 are limited, as the compound is primarily used as a research tool for in vitro applications. However, related research on adenoviral hexon fragments has been conducted in animal models to study adenovirus infection, immune responses, and vaccine development. The hEx3 diabody, which targets epidermal growth factor receptor and CD3, has been studied in mouse models for cancer immunotherapy, where it inhibited cancer growth more effectively than other formats. However, specific in vivo data for the HEX3 peptide fragment itself are not widely available.
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| Enzyme Assay |
The in vitro binding assays for HEX3 typically involve studying protein-protein interactions between the hexon fragment and other viral or host proteins. These assays may use techniques such as surface plasmon resonance, isothermal titration calorimetry, or co-immunoprecipitation to measure binding affinity and specificity. For beta-hexosaminidase 3 inhibitors, enzyme activity assays are used to measure the inhibition of glycosidic bond hydrolysis. The compound is incubated with the target enzyme and a suitable substrate, and the reaction product is quantified using colorimetric or fluorometric detection methods.
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| Cell Assay |
Cellular assays for HEX3 are typically conducted using cell lines infected with adenovirus or cell lines expressing adenoviral proteins. Cells are treated with HEX3 or related peptides, and the effects on viral replication, capsid assembly, or protein interactions are assessed. For beta-hexosaminidase 3 inhibitors, cells are treated with the compound and intracellular glycolipid levels are measured to assess the compound's activity. These cell-based assays help to characterize the compound's biological activity and its potential as a research tool for studying adenovirus biology or glycolipid metabolism.
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| Animal Protocol |
In vivo animal studies for HEX3-related compounds have been conducted in mouse models. The hEx3 diabody, a bispecific antibody targeting epidermal growth factor receptor and CD3, has been studied in mice for cancer immunotherapy, where it inhibited cancer growth more effectively than other formats. In these studies, mice bearing tumors are treated with the compound, and tumor growth is monitored. However, specific in vivo protocols for the HEX3 peptide fragment itself have not been published. The compound is primarily used for in vitro research applications.
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| ADME/Pharmacokinetics |
HEX3 has a molecular weight of 1035.21 and a molecular formula of C47H78N12O14. The compound appears as a white to off-white solid powder. For research use, HEX3 is typically stored as powder at -20degC for up to 3 years, and in solvent at -80degC for up to 1 year. The compound is soluble in appropriate solvents for biochemical and cell-based assays. Detailed pharmacokinetic parameters such as oral bioavailability, half-life, and tissue distribution have not been determined, as the compound is used primarily as a research tool rather than as a therapeutic agent.
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| Toxicity/Toxicokinetics |
Toxicological data for HEX3 are limited, as the compound is primarily used as a research tool for in vitro applications. The compound has not been systematically evaluated for toxicity in preclinical studies. Standard safety precautions should be followed when handling the compound, including the use of appropriate personal protective equipment. The compound is for research use only and not for human or veterinary therapeutic use. Researchers should consult the Safety Data Sheet (SDS) for specific safety information.
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| Additional Infomation |
HEX3 (CAS#: 688805-40-5) is a peptide fragment of the adenoviral hexon, the major capsid protein of the adenovirus. It has a molecular formula of C47H78N12O14 and a molecular weight of 1035.21. The compound is used primarily as a research tool for studying adenovirus biology, capsid structure, viral assembly, and protein-protein interactions. It also refers to beta-hexosaminidase 3 inhibitors used in research on neurodegenerative diseases. HEX3 is not approved for clinical use and is available only for research purposes.
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| Molecular Formula |
C12H16O3
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|---|---|
| Molecular Weight |
208.253643989563
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| Exact Mass |
2182.134
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| CAS # |
688805-40-5
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| PubChem CID |
168009936
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
9
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| Hydrogen Bond Acceptor Count |
20
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| Rotatable Bond Count |
40
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| Heavy Atom Count |
163
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| Complexity |
3290
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C(C)C2C=CC(=C(C=2C1CC)O)OC
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| InChi Key |
GJYORAABHDCELF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H32N2O3.C30H31NO4.C29H32O2.C27H29NO3.C26H28N2O3/c1-20-8-9-22(14-15-30(3,19-33)29(34)35)16-24(20)11-10-23-6-5-7-27(21(23)2)25-12-13-26-18-32(4)31-28(26)17-25;1-19-8-9-22(14-15-30(4,18-32)29(33)34)16-24(19)11-10-23-6-5-7-26(20(23)2)25-12-13-27-28(17-25)35-21(3)31-27;1-5-29(4,28(30)31)19-18-23-15-14-21(2)26(20-23)17-16-24-12-9-13-27(22(24)3)25-10-7-6-8-11-25;1-19-9-10-21(13-14-27(3,18-29)26(30)31)16-23(19)12-11-22-6-4-8-25(20(22)2)24-7-5-15-28-17-24;1-18-7-8-20(11-12-26(3,17-29)25(30)31)15-22(18)10-9-21-5-4-6-23(19(21)2)24-16-27-13-14-28-24/h5-13,16-18,33H,14-15,19H2,1-4H3,(H,34,35);5-13,16-17,32H,14-15,18H2,1-4H3,(H,33,34);6-17,20H,5,18-19H2,1-4H3,(H,30,31);4-12,15-17,29H,13-14,18H2,1-3H3,(H,30,31);4-10,13-16,29H,11-12,17H2,1-3H3,(H,30,31)
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| Chemical Name |
2-ethyl-2-methyl-4-[4-methyl-3-[2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]butanoic acid;2-(hydroxymethyl)-2-methyl-4-[4-methyl-3-[2-[2-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)phenyl]ethenyl]phenyl]butanoic acid;2-(hydroxymethyl)-2-methyl-4-[4-methyl-3-[2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]phenyl]butanoic acid;2-(hydroxymethyl)-2-methyl-4-[4-methyl-3-[2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]phenyl]butanoic acid;2-(hydroxymethyl)-2-methyl-4-[4-methyl-3-[2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]phenyl]butanoic 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 4.8019 mL | 24.0096 mL | 48.0192 mL | |
| 5 mM | 0.9604 mL | 4.8019 mL | 9.6038 mL | |
| 10 mM | 0.4802 mL | 2.4010 mL | 4.8019 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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