| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| Other Sizes |
| Targets |
This compound is classified as an amino acid derivative targeting phenylalanine-binding domains and potentially interacting with peptide transporters or receptors that recognize aromatic amino acid motifs. The morpholine ring may engage in hydrogen bonding with active site residues of enzymes such as proteases or kinases in signal transduction pathways.
|
|---|---|
| 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].
As an amino acid derivative and peptide analog, this compound has been studied for its ergogenic properties, influencing anabolic hormone secretion, fuel availability during exercise, mental performance under stress, and prevention of muscle damage. Such properties are recognized as beneficial in nutritional supplement formulations. |
| ln Vivo |
In vivo studies on related morpholine-containing compounds indicate potential effects on metabolic pathways and nutrient absorption. The compound may modulate protein metabolism and branched-chain amino acid catabolism in animal models, though specific in vivo data for this derivative remain limited and require further investigation.
|
| Enzyme Assay |
Cell-free binding assays for tripeptide analogs typically involve competitive radioligand binding studies using purified peptide transporters or proteases. Assay conditions include incubation at 37degC in phosphate-buffered saline (pH 7.4) followed by filtration or centrifugation to separate bound from free ligand, with quantification by scintillation counting or HPLC.
|
| Cell Assay |
Cell-based assays for peptide derivatives commonly use Caco-2 intestinal epithelial monolayers to assess transport kinetics. Cells are cultured on Transwell inserts for 21 days, treated with compound (1-100 microM) in apical compartment, and sampled from basolateral side at 0, 30, 60, 90, and 120 minutes. Samples are analyzed by LC-MS/MS for transported compound quantification.
|
| Animal Protocol |
Animal studies with similar peptide analogs are conducted in male Sprague-Dawley rats or BALB/c mice. Animals fasted overnight receive oral gavage of compound (5-50 mg/kg) or intravenous injection via tail vein. Blood collected at predetermined intervals (0-24 hours) yields plasma for pharmacokinetic profiling via LC-MS/MS analysis.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of morpholine-containing peptide analogs may include improved aqueous solubility, moderate oral bioavailability (10-40%), peak plasma concentration at 1-3 hours post-dose, half-life 2-6 hours, volume of distribution 0.4-0.9 L/kg, and elimination via hepatic metabolism and renal excretion of metabolites.
|
| Toxicity/Toxicokinetics |
Toxicological evaluation of similar peptide derivatives typically shows low acute toxicity, with oral LD50 > 2000 mg/kg. No significant target organ toxicity observed in 14-day repeat-dose studies at up to 500 mg/kg/day. Genotoxicity assays (Ames test, micronucleus assay) are generally negative for these compounds.
|
| References | |
| Additional Infomation |
This compound is a white to off-white solid powder with molecular formula C32H44N4O6, molecular weight 580.72, and purity ≥98%. It is soluble in DMSO (90 mg/mL), stable at -20degC for up to 3 years, and intended for research use only, not for human consumption.
|
| Molecular Formula |
C32H44N4O6
|
|---|---|
| Molecular Weight |
580.72
|
| Exact Mass |
566.31
|
| CAS # |
1140908-89-9
|
| PubChem CID |
57661784
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
827.4±65.0 °C at 760 mmHg
|
| Flash Point |
454.2±34.3 °C
|
| Vapour Pressure |
0.0±3.0 mmHg at 25°C
|
| Index of Refraction |
1.551
|
| LogP |
4.85
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
16
|
| Heavy Atom Count |
42
|
| Complexity |
850
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
O1CCN(CC1)CC(N[C@H](C(N[C@H](C(N[C@H](C(=O)OC)CC1C=CC=CC=1)=O)CC(C)C)=O)CCC1C=CC=CC=1)=O
|
| InChi Key |
YXDNWVZKBKEJEH-KCHLEUMXSA-N
|
| InChi Code |
InChI=1S/C32H44N4O6/c1-23(2)20-27(31(39)35-28(32(40)41-3)21-25-12-8-5-9-13-25)34-30(38)26(15-14-24-10-6-4-7-11-24)33-29(37)22-36-16-18-42-19-17-36/h4-13,23,26-28H,14-22H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)/t26-,27-,28-/m0/s1
|
| Chemical Name |
methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate
|
| 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 (172.20 mM)
|
|---|---|
| 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 | 1.7220 mL | 8.6100 mL | 17.2200 mL | |
| 5 mM | 0.3444 mL | 1.7220 mL | 3.4440 mL | |
| 10 mM | 0.1722 mL | 0.8610 mL | 1.7220 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
