| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Boc-Chg-OH targets peptide synthesis applications as a building block for introducing cyclohexylglycine residues. The Boc group enables Boc-based SPPS. The cyclohexylglycine residue can modulate peptide conformation and hydrophobicity. It does not have a specific biological receptor target but is used in the synthesis of modified peptides.
|
|---|---|
| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
In vitro activity of Boc-Chg-OH is primarily as a peptide synthesis reagent. Amino acid derivatives have been used as ergogenic supplements, affecting the release of anabolic hormones and fuel availability. Boc-Chg-OH itself is not directly biologically active. Its utility is in preparing cyclohexylglycine-containing peptides for subsequent biological evaluation. |
| ln Vivo |
There is no specific in vivo activity data for Boc-Chg-OH as a standalone compound. Peptides containing cyclohexylglycine residues synthesized using this building block may be evaluated in vivo for therapeutic applications. The cyclohexyl group can enhance peptide stability and modulate target binding. Animal studies would be performed on the final peptide products.
|
| Enzyme Assay |
In vitro protocols for Boc-Chg-OH involve its use in Boc-based SPPS. The compound is activated using coupling reagents and coupled to resin-bound peptides. Boc deprotection is achieved with TFA. Purity is >98% by HPLC. Coupling efficiency is monitored by HPLC or Kaiser test. Storage: room temperature.
|
| Cell Assay |
Cell-based protocols are not directly applicable to Boc-Chg-OH as it is a synthesis building block. Cyclohexylglycine-containing peptides synthesized using this reagent can be tested in cell culture. Peptides are dissolved in DMSO or appropriate buffers, sterile-filtered, and added to cells at concentrations of 0.1-100 µM. Incubation is typically 24-72 hours. Assays include cell viability, proliferation, and specific signaling readouts.
|
| Animal Protocol |
Animal studies with Boc-Chg-OH are not conducted directly. Peptides containing cyclohexylglycine residues synthesized using this building block may be evaluated in vivo. Protocols involve administration of the peptide via appropriate routes in animal models. Pharmacokinetic sampling, efficacy assessment, and toxicological evaluation follow standard preclinical study designs. The cyclohexyl group can influence peptide stability and bioavailability.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for Boc-Chg-OH as a standalone compound is not applicable. The compound has molecular weight 257.33 g/mol, formula C₁₃H₂₃NO₄, and appears as a solid. Purity is >98% by HPLC. Storage: room temperature. The Boc group is removed under acidic conditions during peptide synthesis. The resulting cyclohexylglycine-containing peptides may have altered pharmacokinetics.
|
| Toxicity/Toxicokinetics |
Toxicological data for Boc-Chg-OH is limited. The compound is for research use only. Standard safety precautions should be observed. Acute toxicity is expected to be low. Store at room temperature. Proper personal protective equipment should be worn when handling. No specific toxicity studies have been reported. It is not intended for human therapeutic use.
|
| References | |
| Additional Infomation |
Boc-Chg-OH (CAS#: 109183-71-3) is also known as Boc-L-cyclohexylglycine, N-(tert-Butoxycarbonyl)-L-2-cyclohexylglycine, and (S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid. Its molecular formula is C₁₃H₂₃NO₄ and molecular weight is 257.33 g/mol. It is a Boc-protected amino acid used in peptide synthesis. It has no approved therapeutic indications.
|
| Molecular Formula |
C13H23NO4
|
|---|---|
| Molecular Weight |
257.32602
|
| Exact Mass |
257.162
|
| CAS # |
109183-71-3
|
| PubChem CID |
7004938
|
| Appearance |
White to off-white powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
407.9±28.0 °C at 760 mmHg
|
| Melting Point |
83 °C
|
| Flash Point |
200.5±24.0 °C
|
| Vapour Pressure |
0.0±2.0 mmHg at 25°C
|
| Index of Refraction |
1.490
|
| LogP |
3.16
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
18
|
| Complexity |
303
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(O)=O
|
| InChi Key |
QSUXZIPXYDQFCX-JTQLQIEISA-N
|
| InChi Code |
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1
|
| Chemical Name |
(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
|
| Synonyms |
(S)-2-((tert-Butoxycarbonyl)amino)-2-cyclohexylacetic acid; Boc-Chg-OH
|
| 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 (~388.61 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.72 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 (9.72 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 (9.72 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 | 3.8861 mL | 19.4303 mL | 38.8606 mL | |
| 5 mM | 0.7772 mL | 3.8861 mL | 7.7721 mL | |
| 10 mM | 0.3886 mL | 1.9430 mL | 3.8861 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
