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| Other Sizes |
| Targets |
HD-Asp(OtBu)-OtBu·HCl does not have specific pharmacological targets, as it is an inactive isomer used primarily as a control compound in research experiments. The active isomer, H-Asp(OtBu)-OtBu.HCl, is an aspartic acid analogue that may interact with enzymes or receptors that recognize aspartate or its derivatives. However, the D-isomer (HD-Asp(OtBu)-OtBu·HCl) is considered inactive and serves as a negative control to distinguish specific effects of the L-isomer from non-specific effects.
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| ln Vitro |
HD-Asp(OtBu)-OtBu·HCl is not evaluated for traditional in vitro biological activity, as it is an inactive isomer used as a control compound. The compound is the D-isomer of H-Asp(OtBu)-OtBu.HCl, an aspartic acid analogue. In research settings, it is used to establish baseline or non-specific effects in experiments where the active L-isomer is being investigated. No specific in vitro activity data, such as IC₅₀ values or enzyme inhibition potencies, have been reported for this compound, as its primary function is as a control rather than an active pharmacological agent.
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| ln Vivo |
HD-Asp(OtBu)-OtBu·HCl is not used for in vivo pharmacological evaluation, as it is an inactive isomer serving as a control compound. The compound is intended for research use only and is not administered to animals for therapeutic or pharmacological assessment. Its role is limited to in vitro experimental settings where it serves as a negative control to differentiate the effects of the active L-isomer from non-specific or background effects. No in vivo activity data have been reported for this compound.
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| Enzyme Assay |
HD-Asp(OtBu)-OtBu·HCl is not evaluated in traditional enzyme/receptor binding assays as an active compound. Instead, it serves as a control in experiments where the active isomer H-Asp(OtBu)-OtBu.HCl is being studied. In such experiments, both the active and inactive isomers are tested in parallel under identical assay conditions. The compound's purity is typically confirmed by HPLC or NMR. Standard analytical methods including mass spectrometry and chromatography are used for characterization and quality control of this research chemical.
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| Cell Assay |
In vitro cellular assays for HD-Asp(OtBu)-OtBu·HCl are not typically performed as the compound is an inactive isomer used as a control. When used in cellular experiments, it is applied to cells at the same concentrations as the active isomer to control for non-specific effects such as solvent toxicity, osmotic effects, or off-target interactions. Cell viability, proliferation, or signaling pathway readouts are compared between the active isomer-treated, inactive isomer-treated, and vehicle control groups to establish the specificity of the active compound's effects.
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| Animal Protocol |
HD-Asp(OtBu)-OtBu·HCl is not used in in vivo animal experiments, as it is an inactive isomer serving as a control compound in research. The compound is intended for laboratory use only and is not administered to animals for pharmacological evaluation. Its role is limited to in vitro experimental controls where it helps establish the specificity of the active L-isomer's effects. No animal studies have been reported for this compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of HD-Asp(OtBu)-OtBu·HCl have not been characterized, as the compound is an inactive isomer used as a research control rather than a therapeutic agent. The compound has a molecular weight of 281.78 g/mol and a molecular formula of C₁₂H₂₄ClNO₄. As a protected amino acid ester with tert-butyl groups, it is expected to be lipophilic and membrane-permeable. The compound is typically stored as a powder at -20°C or 4°C. Purity is typically ≥95%.
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| Toxicity/Toxicokinetics |
The toxicological profile of HD-Asp(OtBu)-OtBu·HCl has not been extensively documented, as the compound is an inactive isomer used as a research control. Standard laboratory safety precautions should be followed when handling this compound. As a protected amino acid derivative, it is expected to have moderate toxicity. However, comprehensive toxicological evaluations including acute toxicity, genotoxicity, and repeated-dose studies have not been reported. The compound is intended for research use only and not for human consumption or therapeutic application.
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| References | |
| Additional Infomation |
HD-Asp(OtBu)-OtBu·HCl (CAS# 135904-71-1, molecular formula C₁₂H₂₄ClNO₄, molecular weight 281.78) is the inactive D-isomer of H-Asp(OtBu)-OtBu.HCl, an aspartic acid derivative. It is used as a control compound in research experiments. Also known as (R)-di-tert-butyl 2-aminosuccinate hydrochloride. No clinical trials or regulatory approvals have been identified. Purity ≥95%.
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| Molecular Formula |
C12H24CLNO4
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|---|---|
| Molecular Weight |
281.78
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| Exact Mass |
281.139
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| CAS # |
135904-71-1
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| Related CAS # |
H-Asp(OtBu)-OtBu.HCl;1791-13-5
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| PubChem CID |
53229893
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| Appearance |
White to off-white solid powder
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| LogP |
2.889
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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 |
7
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| Heavy Atom Count |
18
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| Complexity |
286
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C)OC(=O)C[C@H](C(=O)OC(C)(C)C)N.Cl
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| InChi Key |
GVLZIMQSYQDAHB-DDWIOCJRSA-N
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| InChi Code |
InChI=1S/C12H23NO4.ClH/c1-11(2,3)16-9(14)7-8(13)10(15)17-12(4,5)6;/h8H,7,13H2,1-6H3;1H/t8-;/m1./s1
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| Chemical Name |
ditert-butyl (2R)-2-aminobutanedioate;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) |
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 | 3.5489 mL | 17.7443 mL | 35.4887 mL | |
| 5 mM | 0.7098 mL | 3.5489 mL | 7.0977 mL | |
| 10 mM | 0.3549 mL | 1.7744 mL | 3.5489 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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