| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
This compound is classified as an amino acid derivative targeting phenylalanine-recognizing proteins and enzymes. As a tripeptide analog, it may interact with peptide transporters (PEPT1/2), proteases, or receptors that recognize C-terminal phenylalanine motifs, including neuropeptide receptors and opioid receptors.
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| 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].
Peptide analogs such as this compound have been commercially used as ergogenic supplements or research reagents. They influence the secretion of anabolic hormones, supply of fuel during exercise, mental performance during stress-related tasks, and prevention of exercise-induced muscle damage. They are recognized as beneficial dietary substances in specific formulations. |
| ln Vivo |
In vivo studies on related peptide derivatives demonstrate effects on nutrient absorption via peptide transporters, modulation of protein digestion kinetics, and potential impact on postprandial amino acid availability. These compounds may influence metabolic pathways related to branched-chain amino acid catabolism and nitrogen balance in animal models.
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| Enzyme Assay |
Cell-free binding assays for tripeptide analogs typically involve competitive binding studies using purified peptide transporters (PEPT1/PEPT2) reconstituted in lipid vesicles or immobilized on sensor chips. Transport affinity is measured using radiolabeled di/tripeptide substrates, with IC50 determination via scintillation proximity assay or surface plasmon resonance.
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| Cell Assay |
Cell-based assays for tripeptide derivatives commonly use Caco-2 monolayers expressing PEPT1 to measure apical-to-basolateral transport. Cells are seeded on Transwell inserts and treated with compound, followed by LC-MS/MS quantification of transported compound. Alternatively, HEK293 cells overexpressing peptide transporters are used for uptake kinetic studies.
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| Animal Protocol |
Animal studies with peptide analogs typically use Sprague-Dawley rats or CD-1 mice. Animals receive oral gavage (10-100 mg/kg) or intravenous administration. Blood samples are collected at multiple time points, with endpoints including plasma drug concentration, intestinal permeability, and tissue distribution. Jejunal loop models can assess regional absorption.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of tripeptide derivatives generally include low oral bioavailability (1-20%) due to proteolytic degradation and efflux transport. Peak plasma concentration occurs at 0.5-2 hours post-dose, half-life 1-4 hours, volume of distribution 0.3-0.8 L/kg, plasma protein binding 40-70%, and elimination primarily as metabolites via urine and bile.
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| Toxicity/Toxicokinetics |
Toxicological profiles of peptide derivatives typically show low acute toxicity with oral LD50 > 2000 mg/kg. Repeat-dose studies may reveal mild gastrointestinal effects (nausea, diarrhea) at high doses. No significant genotoxicity, reproductive toxicity, or carcinogenicity has been reported, though long-term data remain limited.
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| References | |
| Additional Infomation |
This compound appears as a solid powder with molecular formula C28H36F3N3O6, molecular weight 567.60, and purity ≥97%. It is soluble in DMSO (≥80 mg/mL). The compound should be stored at -20degC for powder or -80degC for solutions, protected from light, and used only for research applications.
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| Molecular Formula |
C28H36F3N3O6
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|---|---|
| Molecular Weight |
567.60
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| Exact Mass |
567.255
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| CAS # |
868539-99-5
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| PubChem CID |
91754561
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| Appearance |
White to off-white solid powder
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| LogP |
4.493
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
13
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| Heavy Atom Count |
40
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| Complexity |
696
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| Defined Atom Stereocenter Count |
3
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| SMILES |
C(F)(F)(F)C(=O)O.[C@@H](CC(C)C)(NC(=O)[C@@H](N)CCC1C=CC=CC=1)C(=O)N[C@H](C(=O)OC)CC1C=CC=CC=1
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| InChi Key |
LAPJYAIMBWUZSL-RGRVRPFLSA-N
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| InChi Code |
InChI=1S/C26H35N3O4.C2HF3O2/c1-18(2)16-22(28-24(30)21(27)15-14-19-10-6-4-7-11-19)25(31)29-23(26(32)33-3)17-20-12-8-5-9-13-20;3-2(4,5)1(6)7/h4-13,18,21-23H,14-17,27H2,1-3H3,(H,28,30)(H,29,31);(H,6,7)/t21-,22-,23-;/m0./s1
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| Chemical Name |
methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate;2,2,2-trifluoroacetic 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) |
DMSO: ≥ 100 mg/mL (176.18 mM)
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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 | 1.7618 mL | 8.8090 mL | 17.6180 mL | |
| 5 mM | 0.3524 mL | 1.7618 mL | 3.5236 mL | |
| 10 mM | 0.1762 mL | 0.8809 mL | 1.7618 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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