| Size | Price | Stock | Qty |
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| 10mg |
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| Targets |
H-Ile-Trp-OH has a dual mechanism of action. It targets angiotensin-converting enzyme (ACE) as an inhibitor, predominantly inhibiting the C-domain of ACE. It also targets the α7 nicotinic acetylcholine receptor (α7 nAChR) as a negative allosteric modulator (NAM). This dual activity contributes to its potential therapeutic effects, including blood pressure regulation and anxiolytic/antidepressant activity.
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| ln Vitro |
In vitro, H-Ile-Trp-OH inhibits ACE with an IC50 of 0.7 μM. It predominantly inhibits the C-domain of ACE. It also acts as a negative allosteric modulator of the α7 nAChR. These activities have been demonstrated in biochemical and cellular assays. The compound does not exhibit other significant pharmacological activities. Its role in research is as a tool for studying ACE and α7 nAChR function.
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| ln Vivo |
In vivo, H-Ile-Trp-OH (also known as BNC210) has been shown to be orally active and to exhibit anxiolytic activity in rodent models of anxiety. It has also been investigated for its antidepressant activity. Doses of 0.1-10 mg/kg in mice have been shown to increase the time spent in the open arms of the maze. Its dual ACE inhibitory and α7 nAChR modulatory activities contribute to its in vivo effects.
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| Enzyme Assay |
In vitro enzyme assays for H-Ile-Trp-OH are designed to measure its ACE inhibitory activity and its modulation of α7 nAChR. For ACE assays, the compound is incubated with ACE and a substrate, and the inhibition of substrate hydrolysis is measured. For α7 nAChR assays, electrophysiology or calcium flux assays are used to assess the compound's modulation of receptor activity. The IC50 for ACE inhibition is 0.7 μM.
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| Cell Assay |
In vitro cellular assays using H-Ile-Trp-OH are conducted to study its effects on α7 nAChR signaling. Cells expressing the receptor are treated with the compound, and its modulation of receptor activity is measured using calcium imaging or electrophysiology. The compound's effects on ACE activity can be assessed in cell lines expressing ACE. These experiments help to elucidate the mechanisms of its dual activity.
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| Animal Protocol |
In vivo animal studies with H-Ile-Trp-OH (BNC210) have been conducted in rodent models of anxiety and depression. A typical protocol involves oral administration of the compound at doses ranging from 0.1 to 10 mg/kg. Behavioral tests such as the elevated plus maze are used to assess anxiolytic activity. The compound has been shown to increase the time spent in the open arms of the maze, indicating anxiolytic effects.
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| ADME/Pharmacokinetics |
As an orally active small molecule, H-Ile-Trp-OH is expected to have favorable pharmacokinetic properties. It is absorbed after oral administration and can cross the blood-brain barrier to exert its effects on the central nervous system. Detailed pharmacokinetic data, including bioavailability, half-life, and metabolism, are available from preclinical studies. The compound is rapidly cleared and has a short half-life.
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| Toxicity/Toxicokinetics |
H-Ile-Trp-OH has been shown to have no apparent side effects in preclinical studies. It is generally considered to have low toxicity. The compound has been investigated in animal models at doses up to 10 mg/kg without significant adverse effects. Standard laboratory safety precautions, including the use of personal protective equipment, are recommended.
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| References | |
| Additional Infomation |
Isoleucine-tryptophan (Ile-Trp) is a dipeptide formed from L-isoleucine and L-tryptophan residues, and it is a metabolite.
H-Ile-Trp-OH (Isoleucyl-tryptophan, CAS 13589-06-5) is a dipeptide composed of L-isoleucine and L-tryptophan. Its molecular formula is C₁₇H₂₃N₃O₃ and its molecular weight is 317.39 g/mol. It is an ACE inhibitor with an IC50 of 0.7 μM and an α7 nAChR negative allosteric modulator. It has been investigated as BNC210 for its anxiolytic and antidepressant activities. It is intended for research use only. |
| Molecular Formula |
C17H23N3O3
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|---|---|
| Molecular Weight |
317.38282
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| Exact Mass |
317.174
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| CAS # |
13589-06-5
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| Related CAS # |
1020634-41-6 (delated);13589-06-5;160448-56-6 (TFA);
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| PubChem CID |
7019085
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| Appearance |
White to off-white solid powder
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| LogP |
2.744
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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 |
7
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| Heavy Atom Count |
23
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| Complexity |
429
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N
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| InChi Key |
BVRPESWOSNFUCJ-LKTVYLICSA-N
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| InChi Code |
InChI=1S/C17H23N3O3/c1-3-10(2)15(18)16(21)20-14(17(22)23)8-11-9-19-13-7-5-4-6-12(11)13/h4-7,9-10,14-15,19H,3,8,18H2,1-2H3,(H,20,21)(H,22,23)/t10-,14-,15-/m0/s1
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| Chemical Name |
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic 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 : ~125 mg/mL (~393.85 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.55 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 20.8 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: ≥ 2.08 mg/mL (6.55 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 20.8 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: ≥ 2.08 mg/mL (6.55 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 | 3.1508 mL | 15.7540 mL | 31.5080 mL | |
| 5 mM | 0.6302 mL | 3.1508 mL | 6.3016 mL | |
| 10 mM | 0.3151 mL | 1.5754 mL | 3.1508 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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