| Size | Price | Stock | Qty |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
H-β-homo-Ile-OH.HCl is an isoleucine analogue used in biochemical research. It targets branched-chain amino acid metabolism pathways. Due to its structural similarity to isoleucine, it serves as a tool for studying enzyme-substrate interactions and metabolic pathways. It is also used as a building block in peptide synthesis for developing novel therapeutic agents. The compound can be isolated from natural sources such as Synadenium grantii.
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| ln Vitro |
In vitro studies with H-β-homo-Ile-OH.HCl focus on its use as a research tool in branched-chain amino acid metabolism. The compound can be used to probe enzyme specificity and catalytic mechanisms. It can be incorporated into peptides to study the effects of backbone extension on peptide conformation and biological activity. The β-amino acid structure provides insights into how enzymes recognize and process amino acid substrates. It is a valuable tool in protein engineering.
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| ln Vivo |
There is no specific in vivo activity data for H-β-homo-Ile-OH.HCl. β-Homoamino acids are non-natural amino acids used primarily as research tools. Peptides containing β-homoisoleucine residues may be evaluated in vivo for therapeutic applications, particularly in the development of novel therapeutic agents. Animal studies would be performed on the final peptide products. The compound's structural similarity to isoleucine makes it relevant for metabolism studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding protocols for H-β-homo-Ile-OH.HCl involve studying its interactions with enzymes involved in branched-chain amino acid metabolism. The compound is incubated with purified enzymes in appropriate buffers. Enzyme activity is measured using spectrophotometric or chromatographic methods. For substrate specificity studies, the compound is tested as a potential substrate or inhibitor. Binding affinity can be determined using biophysical methods. The hydrochloride salt form facilitates dissolution in aqueous buffers.
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| Cell Assay |
Cell culture protocols for H-β-homo-Ile-OH.HCl involve dissolving the compound in sterile water or cell culture medium. Cells are treated with concentrations ranging from 0.1-100 mM for 24-72 hours. Effects on cell viability and metabolism are assessed using standard assays such as MTT. The compound can be used to study amino acid transport and metabolism in cell models. It is soluble in DMSO, acetone, and other organic solvents.
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| Animal Protocol |
In vivo animal study protocols for H-β-homo-Ile-OH.HCl are not well established. If used in animal studies, the compound would be dissolved in saline or PBS and administered via injection or oral gavage. Dosing would be determined empirically. Studies would focus on the effects of β-amino acid incorporation on metabolism and physiology, particularly branched-chain amino acid metabolism. Blood and tissue samples would be collected for analysis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of H-β-homo-Ile-OH.HCl are characteristic of small amino acid derivatives. The compound has a molecular weight of 181.66 g/mol and formula C₇H₁₅NO₂·HCl. It has a purity of ≥98%. The hydrochloride salt form provides good aqueous solubility. As a non-natural amino acid, it may be metabolized differently from natural isoleucine. Elimination is expected via renal excretion. Store as powder at -20°C.
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| Toxicity/Toxicokinetics |
Limited toxicity data is available for H-β-homo-Ile-OH.HCl. Standard safety precautions for handling amino acid derivatives should be observed. The compound is not intended for human therapeutic use. Acute toxicity is expected to be low. Proper personal protective equipment should be worn when handling. No specific toxicity studies have been reported. It is for research use only. Store desiccated at -20°C.
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| References | |
| Additional Infomation |
H-β-homo-Ile-OH.HCl (CAS#: 219310-10-8) is also known as L-β-homoisoleucine hydrochloride, (3R,4S)-3-amino-4-methylhexanoic acid hydrochloride, and H-β-HoIle-OH·HCl. Its molecular formula is C₇H₁₅NO₂·HCl and molecular weight is 181.66. It has a purity of ≥98%. It is a non-proteinogenic amino acid used in branched-chain amino acid metabolism studies and peptide synthesis. It has no approved therapeutic indications.
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| Molecular Formula |
C7H16CLNO2
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|---|---|
| Molecular Weight |
181.66044
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| Exact Mass |
181.087
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| CAS # |
219310-10-8
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| PubChem CID |
16211047
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| Appearance |
White to off-white solid powder
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| Boiling Point |
249.1ºC at 760mmHg
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| Flash Point |
104.5ºC
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| Vapour Pressure |
0.00744mmHg at 25°C
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| LogP |
2.336
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
11
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| Complexity |
114
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC[C@H](C)[C@@H](CC(=O)O)N.Cl
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| InChi Key |
RWKVKXFASXUCRV-RIHPBJNCSA-N
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| InChi Code |
InChI=1S/C7H15NO2.ClH/c1-3-5(2)6(8)4-7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H/t5-,6+;/m0./s1
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| Chemical Name |
(3R,4S)-3-amino-4-methylhexanoic acid;hydrochloride
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| Synonyms |
H-β-HoIle-OH hydrochloride; H-β-homo-Ile-OH.HCl
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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 | 5.5048 mL | 27.5239 mL | 55.0479 mL | |
| 5 mM | 1.1010 mL | 5.5048 mL | 11.0096 mL | |
| 10 mM | 0.5505 mL | 2.7524 mL | 5.5048 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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