| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
BOP Reagent targets the carboxyl group of amino acids, activating it for nucleophilic attack by the amino group of another amino acid. It is a coupling reagent that facilitates amide bond formation in peptide synthesis. The reagent contains a benzotriazole leaving group and a phosphonium core, promoting efficient coupling. Its primary utility is as a chemical reagent in peptide chemistry, not as a compound with a biological target.
|
|---|---|
| ln Vitro |
BOP Reagent 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 typically used in the presence of a base such as triethylamine or Hünig's base and forms HOBt in situ, which then generates an activated ester.
|
| ln Vivo |
BOP Reagent 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 BOP Reagent 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 or TEA is added, and the reaction is allowed to proceed at room temperature. The progress of the coupling reaction is monitored by HPLC or TLC. The reagent is especially valued for its high reactivity and mild reaction conditions.
|
| Cell Assay |
In vitro cellular assays using BOP Reagent 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 and other compounds. It is not designed for cell culture studies.
|
| Animal Protocol |
In vivo animal studies with BOP Reagent 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 |
BOP Reagent 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.
|
| Toxicity/Toxicokinetics |
BOP Reagent is generally considered to have low toxicity, consistent with its use as a chemical reagent. It is insoluble in water. The compound should be stored under appropriate conditions. Standard laboratory safety precautions, including the use of personal protective equipment, are recommended.
|
| References |
|
| Additional Infomation |
BOP Reagent (Benzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphate, CAS 56602-33-6) is a peptide coupling reagent. Its chemical formula is C12H22F6N6OP2 and molecular weight is 442.28. The reagent is used in the preparation of phenyl esters of amino acids and promotes efficient coupling with minimal racemization. It is intended for research use only.
|
| Molecular Formula |
C12H22F6N6OP2
|
|---|---|
| Molecular Weight |
442.2806
|
| Exact Mass |
442.123
|
| CAS # |
56602-33-6
|
| Related CAS # |
56602-32-5 (Parent)
|
| PubChem CID |
151348
|
| Appearance |
White to off-white solid powder
|
| Melting Point |
>130 °C (dec.)(lit.)
|
| Flash Point |
138°C
|
| LogP |
4.604
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
13
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
27
|
| Complexity |
368
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[P+](N(C([H])([H])[H])C([H])([H])[H])(N(C([H])([H])[H])C([H])([H])[H])(N(C([H])([H])[H])C([H])([H])[H])ON1C2=C([H])C([H])=C([H])C([H])=C2N=N1.[P-](F)(F)(F)(F)(F)F
|
| InChi Key |
MGEVGECQZUIPSV-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C12H22N6OP.F6P/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1
|
| Chemical Name |
benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;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 (~226.10 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.65 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 25.0 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: ≥ 2.5 mg/mL (5.65 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 25.0 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: ≥ 2.5 mg/mL (5.65 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 | 2.2610 mL | 11.3051 mL | 22.6101 mL | |
| 5 mM | 0.4522 mL | 2.2610 mL | 4.5220 mL | |
| 10 mM | 0.2261 mL | 1.1305 mL | 2.2610 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
