| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
HCTU targets the carboxyl group of amino acids, activating it for amide bond formation. As a coupling reagent, it facilitates peptide synthesis by generating an activated ester that can be attacked by the amino group of another amino acid. Its primary utility is as a chemical reagent in peptide chemistry, not as a compound with a biological target. Comparative studies have shown it gives superior results to TBTU in difficult peptide synthesis, hindered couplings, and cyclizations.
|
|---|---|
| ln Vitro |
HCTU
HCTU does not exhibit pharmacological activity in vitro. As a chemical reagent, it is used to facilitate peptide bond formation rather than as a bioactive compound. In vitro studies using this compound focus on its chemical reactivity in peptide synthesis reactions. The reagent is used in high-throughput parallel synthesis and has been employed in the optimization of Glucagon-like Peptide 1 receptor agonists. |
| ln Vivo |
HCTU is not a pharmacologically active compound and does not have defined in vivo activity as a drug. Its primary value is as a chemical reagent in synthetic chemistry, where it serves as a coupling agent for the preparation of peptides and other amide-containing compounds. It is not intended for in vivo administration in any therapeutic context.
|
| Enzyme Assay |
In vitro assays for HCTU focus on its chemical properties as a coupling reagent. A standard protocol involves dissolving the reagent in a suitable solvent such as DMF or DCM, along with the carboxylic acid component and an amine. A base such as DIPEA is added, and the reaction is allowed to proceed. The progress of the coupling reaction is monitored by HPLC or TLC. The reagent's efficiency is evaluated by yield and purity of the resulting peptide.
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| Cell Assay |
In vitro cellular assays using HCTU are not performed, as the compound is a chemical reagent used in organic synthesis rather than a bioactive molecule. Its use is confined to the laboratory, where it serves as a coupling agent for the preparation of peptides. It is not designed for cell culture studies.
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| Animal Protocol |
In vivo animal studies with HCTU are not conducted, as the compound is a chemical reagent rather than a pharmacologically active agent. Its use is confined to the laboratory, where it serves as a coupling agent for the preparation of peptides.
|
| ADME/Pharmacokinetics |
HCTU is not a drug candidate, and pharmacokinetic data are not available. As a chemical reagent, it is designed for use in organic synthesis rather than systemic administration. Its use is confined to in vitro synthetic applications.
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| Toxicity/Toxicokinetics |
HCTU is generally considered to have low toxicity, consistent with its use as a chemical reagent. The compound has a melting point of >185°C. Standard laboratory safety precautions, including the use of personal protective equipment, are recommended.
|
| Additional Infomation |
HCTU (O-(6-Chloro-1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, CAS 330645-87-9) is a highly efficient aminium-based peptide coupling reagent. Its chemical formula is C11H15ClF6N5OP and molecular weight is 413.69. It is a 6-chloro derivative of HBTU widely employed in solid-phase and solution-phase peptide synthesis. It is intended for research use only.
|
| Molecular Formula |
C11H15CLF6N5OP
|
|---|---|
| Molecular Weight |
413.69
|
| Exact Mass |
413.061
|
| CAS # |
330645-87-9
|
| PubChem CID |
42624899
|
| Appearance |
White to off-white solid powder
|
| Melting Point |
185-190 °C
|
| LogP |
4.085
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
25
|
| Complexity |
381
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
F[P-](F)(F)(F)(F)F.CN(C)C(N(C)C)=[N+]1N=N(=O)C2=C1C=CC(Cl)=C2
|
| InChi Key |
ZHHGTMQHUWDEJF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H15ClN5O.F6P/c1-15(2)11(16(3)4)18-17-10-7-8(12)5-6-9(10)13-14-17;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
|
| Chemical Name |
[(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~241.73 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.04 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4173 mL | 12.0863 mL | 24.1727 mL | |
| 5 mM | 0.4835 mL | 2.4173 mL | 4.8345 mL | |
| 10 mM | 0.2417 mL | 1.2086 mL | 2.4173 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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