| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
endo-BCN-NHS carbonate does not have a defined pharmacological target. It is a chemical reagent used for bioconjugation and labeling applications. The compound contains a BCN group that undergoes strain-promoted alkyne-azide cycloaddition (SPAAC) with azide-bearing molecules. The NHS carbonate ester reacts with primary amines to form stable carbamate linkages, enabling the conjugation of BCN groups to amine-containing biomolecules.
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| ln Vitro |
In vitro, endo-BCN-NHS carbonate is used as a heterobifunctional crosslinker for bioconjugation. The BCN group undergoes strain-promoted alkyne-azide cycloaddition (SPAAC) with azide-bearing compounds. The NHS carbonate ester reacts with primary amines to form stable carbamate linkages. This enables the attachment of BCN groups to proteins, peptides, and other amine-containing biomolecules for subsequent click chemistry labeling.
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| ln Vivo |
In vivo data for endo-BCN-NHS carbonate are not available, as the compound is a chemical reagent used for in vitro bioconjugation. It is not intended for direct in vivo administration. The compound may be used to prepare bioconjugates that are subsequently evaluated in vivo, but the reagent itself has no established in vivo pharmacokinetic or pharmacodynamic profile.
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| Enzyme Assay |
For in vitro bioconjugation experiments, endo-BCN-NHS carbonate is used to functionalize amine-containing biomolecules. The compound is dissolved in anhydrous DMF or DMSO and added to the biomolecule solution in appropriate buffer (e.g., PBS, pH 7.4) at a molar ratio of 2-10 equivalents. The reaction is incubated at room temperature for 1-4 hours. Excess reagent is removed by dialysis or gel filtration. The BCN-functionalized biomolecule can then be used in SPAAC reactions with azide-labeled probes.
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| Cell Assay |
For in vitro cell-based experiments, endo-BCN-NHS carbonate is not used directly in cell culture. It is a chemical reagent used for the synthesis of bioconjugates that may subsequently be applied to cells. The compound itself is not evaluated in cell-based assays. Standard protocols involve using the reagent to prepare BCN-labeled biomolecules that are then added to cell cultures for labeling or imaging studies.
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| Animal Protocol |
In vivo animal studies using endo-BCN-NHS carbonate are not conducted on the reagent itself. Rather, the compound is used to prepare bioconjugates that may be evaluated in animal models for imaging or therapeutic applications. Standard in vivo protocols for BCN-functionalized probes involve administration to rodents via intravenous injection, with appropriate imaging or biodistribution endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for endo-BCN-NHS carbonate are not available, as the compound is a chemical reagent used for in vitro bioconjugation. The compound has a molecular weight of 291.30 g/mol and is soluble in DCM, chloroform, acetone, TBME, and DMF. It should be stored long-term at -20°C. The compound is not a drug and has no therapeutic applications requiring pharmacokinetic characterization.
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| Toxicity/Toxicokinetics |
endo-BCN-NHS carbonate is a research chemical and should be handled with appropriate laboratory safety precautions. As a reactive NHS ester, it may cause skin and eye irritation. The compound is moisture-sensitive and should be stored at -20°C. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
endo-BCN-NHS carbonate (CAS 1426827-79-3) is a research-grade chemical reagent, not an FDA-approved pharmaceutical drug. Its primary application is as a heterobifunctional crosslinker for bioconjugation. The compound contains a BCN group for strain-promoted alkyne-azide cycloaddition (SPAAC) with azide-bearing molecules and an NHS carbonate ester for reaction with primary amines. It is used in the preparation of BCN-functionalized biomolecules for labeling and imaging applications. No clinical trials or approved indications exist for this compound.
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| Molecular Formula |
C15H17NO5
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|---|---|
| Molecular Weight |
291.30
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| Exact Mass |
291.11
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| CAS # |
1426827-79-3
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| PubChem CID |
75412386
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| Appearance |
White to light yellow solid powder
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| Density |
1.35±0.1 g/cm3(Predicted)
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| Boiling Point |
412.8±28.0 °C(Predicted)
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| Melting Point |
120 °C
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| Flash Point |
203.4±24.0 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.576
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| LogP |
0.73
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
21
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| Complexity |
509
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O(C(=O)ON1C(CCC1=O)=O)CC1C2CCC#CCCC21
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| InChi Key |
SKTDJYHCSCYLQU-FOSCPWQOSA-N
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| InChi Code |
InChI=1S/C15H17NO5/c17-13-7-8-14(18)16(13)21-15(19)20-9-12-10-5-3-1-2-4-6-11(10)12/h10-12H,3-9H2/t10-,11+,12?
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| Chemical Name |
[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
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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 (343.29 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 | 3.4329 mL | 17.1644 mL | 34.3289 mL | |
| 5 mM | 0.6866 mL | 3.4329 mL | 6.8658 mL | |
| 10 mM | 0.3433 mL | 1.7164 mL | 3.4329 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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