| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
H-DL-Phe-OMe.HCl does not possess a specific biological target. It is a synthetic intermediate, not a pharmacologically active compound. When incorporated into peptides or deprotected, the L-phenylalanine residue can interact with various targets (e.g., neuropeptide receptors, enzymes). However, the racemic mixture and methyl ester render it inactive as a drug. It is classified as an Amino Acid Derivative.
|
|---|---|
| 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].
The compound has no direct in vitro biological activity. It is not tested in cell viability, enzyme inhibition, or receptor binding assays as a primary test article. Any biological activity would arise only after incorporation into a peptide drug candidate. It may be used in enzymatic kinetic resolution studies where an enzyme (e.g., acylase) selectively hydrolyzes one enantiomer to yield optically pure L-phenylalanine derivatives. |
| ln Vivo |
No in vivo activity data are available for H-DL-Phe-OMe.HCl. It is not administered to animals for efficacy assessment. Peptides synthesized from this building block may be evaluated in animal models (e.g., analgesic peptides in rodent pain models), but the parent building block is not used.
|
| Enzyme Assay |
The compound is not used in enzyme or receptor binding assays. Standard chemical characterization protocols include: HPLC analysis using a C18 column with UV detection at 210-254 nm. Mobile phase: 0.1% TFA in water/acetonitrile (gradient). NMR in DMSO-d₆ or CDCl3 for structure confirmation. For solubility testing, dissolve in DMSO (stock solution) or water (due to HCl salt, it is water-soluble). No biological assays are performed.
|
| Cell Assay |
No cell-based protocols are established for this intermediate. For downstream peptide synthesis, a typical protocol for solution-phase peptide coupling: Dissolve H-DL-Phe-OMe.HCl (1.0 eq) in DMF or DCM, neutralize with N-methylmorpholine (1.0 eq), then add an activated Boc- or Fmoc-amino acid (1.0 eq) with HOBt/DCC or HATU. Stir at room temperature for 12-24 hours. The product dipeptide is purified by column chromatography. This intermediate is not used in cell culture.
|
| Animal Protocol |
No animal experiments have been conducted with H-DL-Phe-OMe.HCl. For peptides derived from it, in vivo studies might include: mice injected intraperitoneally or intravenously with the test peptide (1-50 mg/kg) to assess analgesic activity (hot plate or tail flick tests). Blood samples are collected for plasma stability analysis. No data exist for the building block.
|
| ADME/Pharmacokinetics |
No pharmacokinetic data are available for H-DL-Phe-OMe.HCl. It is not a drug candidate. If administered, the methyl ester would likely be rapidly hydrolyzed by serum esterases to yield free DL-phenylalanine, which would then enter normal amino acid metabolism. No absorption, distribution, metabolism, excretion, or bioavailability studies have been reported. Soluble in DMSO and water.
|
| Toxicity/Toxicokinetics |
The safety profile: May cause skin and eye irritation. Harmful if swallowed (oral LD50 >2000 mg/kg predicted). Inhalation of dust may cause respiratory irritation. Not classified as carcinogen or mutagen. Standard laboratory precautions: gloves, safety goggles, lab coat, fume hood. In case of contact, flush with water. Stable as a powder at -20degC for 3 years; in solution at -20degC for up to 6 months.
|
| References | |
| Additional Infomation |
H-DL-Phe-OMe.HCl is not a drug and has no clinical trial or regulatory approval status. It is a research chemical for peptide synthesis and amino acid chemistry. It is often used in the preparation of dipeptide sweeteners (e.g., aspartame analogs) and as a substrate for studying enzymatic enantioselectivity. The racemic mixture is valuable for developing chiral separation methods. No approved drugs contain this building block in its protected form; it is deprotected during synthesis. It is commercially available for research use only.
|
| Molecular Formula |
C10H14CLNO2
|
|---|---|
| Molecular Weight |
215.68
|
| Exact Mass |
215.071
|
| CAS # |
5619-07-8
|
| PubChem CID |
3084017
|
| Appearance |
White to off-white solid powder
|
| Boiling Point |
264.2ºC at 760mmHg
|
| Melting Point |
158-162ºC
|
| Flash Point |
126ºC
|
| LogP |
2.231
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
14
|
| Complexity |
164
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC(=O)C(CC1=CC=CC=C1)N.Cl
|
| InChi Key |
SWVMLNPDTIFDDY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H
|
| Chemical Name |
methyl 2-amino-3-phenylpropanoate;hydrochloride
|
| 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) |
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
|
|---|---|
| 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 | 4.6365 mL | 23.1825 mL | 46.3650 mL | |
| 5 mM | 0.9273 mL | 4.6365 mL | 9.2730 mL | |
| 10 mM | 0.4636 mL | 2.3182 mL | 4.6365 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
