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| Targets |
The primary target of N-Valyltryptophan is angiotensin-converting enzyme (ACE), specifically the C-domain of ACE. It acts as a selective ACE inhibitor with a selectivity factor of 70 and a Ki of 0.3 µM. By inhibiting ACE, it prevents the conversion of angiotensin I to angiotensin II, which can help address fluid retention and vascular stasis.
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| ln Vitro |
In vitro, N-Valyltryptophan is a C-domain selective ACE inhibitor with a Ki of 0.3 µM and a selectivity factor of 70. This means it preferentially inhibits the C-domain of ACE over the N-domain, which may confer a more favorable side-effect profile compared to non-selective ACE inhibitors. Its activity is typically measured in enzymatic assays using purified ACE or ACE-containing tissue extracts.
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| ln Vivo |
In vivo, N-Valyltryptophan's activity as an ACE inhibitor suggests potential effects on blood pressure regulation and fluid balance. By inhibiting ACE, it can reduce angiotensin II production, leading to vasodilation and decreased fluid retention. However, specific in vivo animal model data for this dipeptide is not extensively reported in the available literature.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for N-Valyltryptophan involve ACE inhibition assays using purified ACE enzyme or tissue homogenates. The compound's inhibitory activity is measured by monitoring the cleavage of a synthetic substrate (e.g., hippuryl-histidyl-leucine) in the presence of ACE. IC50 or Ki values are determined from dose-response curves. Selectivity for the C-domain vs. N-domain of ACE can be assessed using domain-selective substrates or mutant enzymes.
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| Cell Assay |
In vitro cellular assays for N-Valyltryptophan are not extensively described in the available literature. Given its role as an ACE inhibitor, cellular assays could involve measuring angiotensin II production in ACE-expressing cell lines or assessing its effects on cellular signaling pathways downstream of ACE. The compound is primarily studied in biochemical assays for its enzyme inhibitory activity.
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| Animal Protocol |
In vivo animal studies for N-Valyltryptophan would likely involve rodent models of hypertension or fluid retention. Animals would be administered the compound orally or intravenously, and blood pressure, fluid balance, and markers of ACE activity would be measured. However, specific in vivo study protocols for this dipeptide are not detailed in the available literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of N-Valyltryptophan indicate it is a dipeptide with a molecular weight of 303.36 and a molecular formula of C16H21N3O3. As a peptide, it may be susceptible to degradation by proteases in the gastrointestinal tract and bloodstream, which could limit its oral bioavailability. Its stability and absorption would be important considerations for its use as a therapeutic or cosmetic ingredient.
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| Toxicity/Toxicokinetics |
Toxicological information for N-Valyltryptophan is limited. As a naturally occurring dipeptide and a cosmetic ingredient, it is generally considered safe for topical use. However, comprehensive toxicology studies for systemic administration are not extensively reported. Its safety as an ACE inhibitor would need to be evaluated in the context of potential effects on blood pressure and renal function.
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| References | |
| Additional Infomation |
Val-Trp is a peptide. It has been reported that Val-Trp has been found in Leptosphaeria maculans, and relevant data are available for reference.
N-Valyltryptophan is a bioactive peptide with anti-aging effects, used as a cosmetic ingredient. It is also known as Dipeptide 2. It functions as a C-domain selective ACE inhibitor. The compound is available from research chemical suppliers for biochemical and cosmetic research applications. |
| Molecular Formula |
C16H21N3O3
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|---|---|
| Molecular Weight |
303.36
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| Exact Mass |
303.158
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| CAS # |
24587-37-9
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| PubChem CID |
168182
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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 |
604.8±55.0 °C at 760 mmHg
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| Flash Point |
319.6±31.5 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.624
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| LogP |
1.49
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
22
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| Complexity |
413
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC([C@H](N)C(N[C@H](C(O)=O)CC1=CNC2=CC=CC=C12)=O)C
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| InChi Key |
LZDNBBYBDGBADK-KBPBESRZSA-N
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| InChi Code |
InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
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| Chemical Name |
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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| Synonyms |
L-Valyl-L-tryptophan; Val-trp; N-Valyltryptophan
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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 | 3.2964 mL | 16.4821 mL | 32.9641 mL | |
| 5 mM | 0.6593 mL | 3.2964 mL | 6.5928 mL | |
| 10 mM | 0.3296 mL | 1.6482 mL | 3.2964 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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