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| Targets |
Boc-Pyr-OH is a protected amino acid derivative used as a building block for peptide synthesis. As a synthetic intermediate, it does not have specific biological targets. The Boc (tert-butoxycarbonyl) group protects the amino functionality during peptide synthesis, allowing for selective deprotection and coupling reactions. Pyroglutamic acid is a cyclic amino acid found in many natural peptides and proteins. The compound's protected form enables the synthesis of peptides containing pyroglutamic acid residues, which are important in various biological contexts.
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| ln Vitro |
In vitro, Boc-Pyr-OH is used as a biochemical reagent and protected amino acid building block for peptide synthesis. It is widely used in various fields of research, including medical, environmental, and industrial research. The compound is used in the synthesis of peptides and peptidomimetics containing pyroglutamic acid residues. Cellular assays are typically performed on the final peptides or compounds synthesized from this building block. The compound's Boc protection allows for standard peptide synthesis protocols using solid-phase or solution-phase methods.
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| ln Vivo |
In vivo data for Boc-Pyr-OH is limited, as it is primarily a research reagent and synthetic intermediate. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. However, peptides synthesized using this building block may have various biological activities. The compound's primary value lies in its use as a synthetic intermediate for preparing peptides and other bioactive compounds. Specific in vivo data for the parent compound is not available in the public literature.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Boc-Pyr-OH are not typically performed, as it is a synthetic intermediate. The compound is used as a building block in peptide synthesis. A typical assay involves using the compound in solid-phase or solution-phase peptide synthesis. The compound is dissolved in organic solvents such as DMF or DCM. The resulting peptides can be evaluated for biological activity. Receptor binding or enzyme inhibition assays can be performed on the final peptides. IC₅₀ or binding affinity values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for Boc-Pyr-OH are not standard, as the compound is primarily a synthetic intermediate. The compound is used in the synthesis of peptides containing pyroglutamic acid residues. A typical protocol for evaluating the biological activity of synthesized peptides involves culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells are treated with synthesized peptides at varying concentrations. Cell viability, proliferation, or specific signaling readouts are assessed. IC₅₀ or EC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for Boc-Pyr-OH are not standard, as it is a synthetic intermediate rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would typically be conducted on the final peptides synthesized using this building block. These studies would evaluate efficacy, pharmacokinetics, and safety in appropriate animal models. The compound's primary value lies in its use as a synthetic intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Boc-Pyr-OH is limited, as it is primarily a research reagent. The compound has a molecular weight of 229.23 g/mol and a molecular formula of C₁₀H₁₅NO₅. It is a solid at room temperature and is stored as a pure form under appropriate conditions. As a protected amino acid, the Boc group is typically removed during peptide synthesis. The compound is soluble in organic solvents such as DMF and DCM. Specific ADME data is not available.
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| Toxicity/Toxicokinetics |
Boc-Pyr-OH is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
Boc-Pyr-OH (N-Boc-L-pyroglutamic acid, CAS 53100-44-0) is a biochemical reagent with the molecular formula C₁₀H₁₅NO₅. It is a Boc-protected pyroglutamic acid building block for peptide synthesis. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent.
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| Molecular Formula |
C10H15NO5
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| Molecular Weight |
229.23
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| Exact Mass |
229.095
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| CAS # |
53100-44-0
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| PubChem CID |
104412
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
425.8±38.0 °C at 760 mmHg
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| Melting Point |
65-67ºC
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| Flash Point |
211.3±26.8 °C
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| Vapour Pressure |
0.0±2.2 mmHg at 25°C
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| Index of Refraction |
1.516
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| LogP |
-0.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
16
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| Complexity |
331
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O(C(N1C(C([H])([H])C([H])([H])[C@@]1([H])C(=O)O[H])=O)=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
MJLQPFJGZTYCMH-LURJTMIESA-N
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| InChi Code |
InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)/t6-/m0/s1
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| Chemical Name |
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic 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) |
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 | 4.3624 mL | 21.8122 mL | 43.6243 mL | |
| 5 mM | 0.8725 mL | 4.3624 mL | 8.7249 mL | |
| 10 mM | 0.4362 mL | 2.1812 mL | 4.3624 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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