| Size | Price | |
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| Other Sizes |
| Targets |
As a protected glutamic acid derivative, H-Glu(OtBu)-OtBu.HCl does not have a specific biological target. Its primary utility is as a chemical building block in organic synthesis, particularly in peptide chemistry. The compound serves as a protected glutamic acid unit that can be incorporated into peptide chains while the tert-butyl esters protect both carboxyl groups. Glutamic acid is a neurotransmitter, but in its protected form, the compound is not designed to interact with biological receptors.
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| ln Vitro |
H-Glu(OtBu)-OtBu.HCl does not exhibit pharmacological activity in vitro. As a protected amino acid ester, it is a synthetic intermediate rather than a bioactive compound. In vitro studies using this compound focus on its chemical reactivity in peptide bond formation reactions. The compound may be used as a substrate in enzymatic assays to study esterase activity. Its role in research is almost exclusively as a reagent for organic synthesis.
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| ln Vivo |
H-Glu(OtBu)-OtBu.HCl is not a pharmacologically active compound and therefore does not have defined in vivo activity as a drug. When administered to animals, the compound would likely be metabolized to release glutamic acid. However, the compound is not used therapeutically, and its in vivo effects would be limited to those of the released glutamic acid. Its primary value remains in synthetic chemistry.
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| Enzyme Assay |
In vitro assays for H-Glu(OtBu)-OtBu.HCl focus on its chemical properties in peptide synthesis. The compound is typically used as a building block in solid-phase or solution-phase peptide synthesis. It is dissolved in polar aprotic solvents and coupled to other amino acids using standard peptide coupling reagents. The tert-butyl esters can be selectively removed under acidic conditions.
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| Cell Assay |
In vitro cellular assays using H-Glu(OtBu)-OtBu.HCl are limited due to the compound's role as a synthetic intermediate. However, it can be used in cell culture studies to investigate the intracellular delivery of glutamic acid. Cells are cultured in media supplemented with the compound, and cellular uptake and glutamic acid release are monitored.
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| Animal Protocol |
In vivo animal studies with H-Glu(OtBu)-OtBu.HCl are not typically conducted, as the compound is a synthetic intermediate rather than a pharmacologically active agent. If used in vivo, the compound would be administered to animals to study the metabolism of protected amino acid derivatives. However, such studies are rare, and the compound is generally used exclusively in synthetic chemistry applications.
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| ADME/Pharmacokinetics |
H-Glu(OtBu)-OtBu.HCl is not a drug candidate, and pharmacokinetic data are not available. As a protected amino acid derivative, it is designed for chemical synthesis rather than systemic administration. If administered in vivo, the compound would likely be hydrolyzed to release glutamic acid. The compound's pharmacokinetic properties have not been characterized.
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| Toxicity/Toxicokinetics |
The compound is generally considered to have low toxicity, consistent with its use as a chemical reagent. The compound should be stored at -20°C for long-term stability. Standard laboratory safety precautions are recommended.
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| References | |
| Additional Infomation |
H-Glu(OtBu)-OtBu.HCl (L-Glutamic acid di-tert-butyl ester hydrochloride, CAS 32677-01-3) is a protected amino acid derivative used as a building block in peptide synthesis. Its chemical formula is C13H26ClNO4 and molecular weight is 295.80. The compound features tert-butyl esters protecting both carboxyl groups. It may be used in the synthesis of substance P antagonists. It is intended for research use only.
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| Molecular Formula |
C13H25NO4.HCL
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|---|---|
| Molecular Weight |
295.80284
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| Exact Mass |
295.155
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| CAS # |
32677-01-3
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| Related CAS # |
H-Glu(OtBu)-OtBu;16874-06-9
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| PubChem CID |
208636
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| Appearance |
White to off-white solid powder
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| Density |
1.02g/cm3
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| Boiling Point |
311.1ºC at 760 mmHg
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| Melting Point |
60 to 75ºC
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| Flash Point |
78.1ºC
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| LogP |
3.279
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
19
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| Complexity |
299
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)N.Cl
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| InChi Key |
LFEYMWCCUAOUKZ-FVGYRXGTSA-N
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| InChi Code |
InChI=1S/C13H25NO4.ClH/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6;/h9H,7-8,14H2,1-6H3;1H/t9-;/m0./s1
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| Chemical Name |
ditert-butyl (2S)-2-aminopentanedioate;hydrochloride
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 (~338.07 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.45 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 25.0 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: ≥ 2.5 mg/mL (8.45 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 25.0 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: ≥ 2.5 mg/mL (8.45 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 | 3.3807 mL | 16.9033 mL | 33.8066 mL | |
| 5 mM | 0.6761 mL | 3.3807 mL | 6.7613 mL | |
| 10 mM | 0.3381 mL | 1.6903 mL | 3.3807 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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