| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
|
||
| 100mg |
|
||
| 500mg |
|
||
| 1g |
|
||
| Other Sizes |
| Targets |
D-Ala-D-Ala does not have a direct biological target as a drug. Its significance lies in its role as a structural component of bacterial cell walls. It is the terminal dipeptide moiety of peptidoglycan in bacterial cell walls and is a target of certain antibacterial agents. Antibiotics such as vancomycin bind to D-Ala-D-Ala, inhibiting cell wall synthesis. The enzyme D-Alanine-D-Alanine ligase catalyzes the formation of D-Ala-D-Ala. Replacement of D-Ala-D-Ala with D-Ala-D-lactate reduces the affinity of vancomycin, leading to resistance.
|
|---|---|
| ln Vitro |
D-Ala-D-Ala does not have direct in vitro biological activity as a pharmacological agent. It is a bacterial endogenous metabolite and a component of peptidoglycan. Its value is as a substrate in enzymatic assays for D-Ala-D-Ala ligase and as a ligand in affinity chromatography for studying antibiotic binding. It is used in research to investigate bacterial cell wall synthesis and the mechanism of action of antibiotics such as vancomycin.
|
| ln Vivo |
D-Ala-D-Ala does not have in vivo biological activity as a therapeutic agent. It is an endogenous metabolite in bacteria. As a component of the bacterial cell wall, it is a target for antibiotics. The compound itself is not administered to animals or humans as a drug. Its biological relevance is through its role in bacterial physiology and as a target for antibacterial agents.
|
| Enzyme Assay |
In vitro assays using D-Ala-D-Ala are performed to study antibiotic binding. Affinity chromatography columns with immobilized D-Ala-D-Ala are used to purify and study the binding of antibiotics such as vancomycin, teicoplanin, and ristocetin. Binding assays can be performed using surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) to measure the affinity of antibiotics for D-Ala-D-Ala. Enzymatic assays for D-Alanine-D-Alanine ligase use D-Ala-D-Ala as the product to measure enzyme activity.
|
| Cell Assay |
Cell-based assays for D-Ala-D-Ala are not typically performed, as the compound is a bacterial cell wall component and not a pharmacologically active agent. However, bacterial cultures can be used to study the effects of antibiotics that target D-Ala-D-Ala, such as vancomycin. The inhibition of cell wall synthesis can be assessed by measuring bacterial growth or by using fluorescent probes that detect cell wall damage. These assays are used to evaluate antibiotic activity and resistance mechanisms.
|
| Animal Protocol |
In vivo animal experiments with D-Ala-D-Ala are not applicable, as the compound is not a therapeutic agent. However, animal models of bacterial infection can be used to study the efficacy of antibiotics that target D-Ala-D-Ala, such as vancomycin. Infected animals are treated with the antibiotic, and bacterial clearance, survival, and tissue pathology are assessed. The compound itself is not administered.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to D-Ala-D-Ala as it is not a therapeutic agent. The compound has a molecular formula of C6H12N2O3 and a molecular weight of 160.17. It is a white to off-white solid. Solubility: soluble in water and DMSO. Storage: -20°C, protected from moisture. The compound is used as a research reagent and is not intended for human administration.
|
| Toxicity/Toxicokinetics |
Toxicology data for D-Ala-D-Ala are not applicable as the compound is not a therapeutic agent. It is a bacterial metabolite and a research reagent. Standard laboratory safety precautions should be followed when handling the compound. It is for research use only and is not for human therapeutic use. No specific LD50 or toxicity data are available.
|
| References |
|
| Additional Infomation |
D-Alanyl-D-alanine is a dipeptide composed of D-alanine and a D-alanyl residue attached to its α-nitrogen atom. It is a component of bacterial peptidoglycan and an important target for antimicrobial drug development. It functions as a metabolite of E. coli. It is a zwitterionic tautomer of D-alanyl-D-alanine. D-Alanyl-D-alanine is present in or produced by E. coli strains K12 and MG1655. D-Alanyl-D-alanine has been reported to exist in rice (Oryza officinalis), Oryza grandiglumis, and other organisms with relevant data.
D-Ala-D-Ala has CAS number 923-16-0, molecular formula C6H12N2O3, and molecular weight 160.17. It is a dipeptide consisting of two D-alanine molecules. It is a bacterial endogenous metabolite and the terminal dipeptide moiety of peptidoglycan in bacterial cell walls. It is a target of antibiotics such as vancomycin. It is used for affinity chromatography and binding mechanism studies. Purity: typically ≥98%. Not for human use; for research purposes only. |
| Molecular Formula |
C6H12N2O3
|
|---|---|
| Molecular Weight |
160.17108
|
| Exact Mass |
160.085
|
| CAS # |
923-16-0
|
| Related CAS # |
D-Ala-Ala;1115-78-2
|
| PubChem CID |
5460362
|
| Appearance |
White to off-white solid powder
|
| Density |
1.208 g/cm3
|
| Boiling Point |
402.6ºC at 760 mmHg
|
| Melting Point |
286 - 288ºC
|
| Flash Point |
197.3ºC
|
| LogP |
0.014
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
11
|
| Complexity |
169
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
C[C@H](C(=O)N[C@H](C)C(=O)O)N
|
| InChi Key |
DEFJQIDDEAULHB-QWWZWVQMSA-N
|
| InChi Code |
InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
|
| Chemical Name |
(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoic acid
|
| 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) |
H2O : ~100 mg/mL (~624.34 mM)
DMSO : ~2 mg/mL (~12.49 mM) |
|---|---|
| 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 | 6.2434 mL | 31.2168 mL | 62.4337 mL | |
| 5 mM | 1.2487 mL | 6.2434 mL | 12.4867 mL | |
| 10 mM | 0.6243 mL | 3.1217 mL | 6.2434 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
