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Fmoc-Ala-Ala-OH

Cat No.:V44092 Purity: ≥98%
Fmoc-Ala-Ala-OH (3) is a self-assembled fluorenylmethoxycarbonyl dipeptide, a small amphipathic building block/intermediate consisting of a dipeptide linked to a fluorenylmethoxycarbonyl group (Fmoc).
Fmoc-Ala-Ala-OH
Fmoc-Ala-Ala-OH Chemical Structure CAS No.: 87512-31-0
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Fmoc-Ala-Ala-OH (3) is a self-assembled fluorenylmethoxycarbonyl dipeptide, a small amphipathic building block/intermediate consisting of a dipeptide linked to a fluorenylmethoxycarbonyl group (Fmoc). Fmoc-Ala-Ala-OH can be used as a scaffold material for 3D cell culture.
Fmoc-Ala-Ala-OH (CAS: 87512-31-0) is a self-assembled fluorenylmethoxycarbonyl (Fmoc)-protected dipeptide consisting of two L-alanine residues linked by a peptide bond, with the N-terminus protected by an Fmoc group. The molecular formula is C21H22N2O5 and molecular weight is 382.41. This compound is a small amphipathic building block/intermediate consisting of a dipeptide linked to an Fmoc group. Fmoc-Ala-Ala-OH can be used as a scaffold material for 3D cell culture. In solid-phase peptide synthesis (SPPS), it serves as a pre-assembled Ala-Ala dipeptide building block, used to improve synthesis efficiency and reduce sequence deletions. The compound also exhibits self-assembly properties, forming supramolecular nanostructures and hydrogels in aqueous media. Purity is typically ≥98%.
Biological Activity I Assay Protocols (From Reference)
Targets
As a protected dipeptide building block, Fmoc-Ala-Ala-OH does not have a direct biological target. Its utility lies in its role as a synthetic intermediate for peptide synthesis and as a scaffold material for 3D cell culture. The Fmoc group protects the N-terminus during peptide synthesis and can be removed under mild basic conditions. The compound's self-assembly properties, driven by the hydrophobic Fmoc group and the hydrophilic dipeptide, enable the formation of hydrogels that can serve as 3D cell culture scaffolds. This makes it a valuable tool for tissue engineering, regenerative medicine, and studying cell-matrix interactions.
ln Vitro
As a synthetic building block, Fmoc-Ala-Ala-OH does not have direct in vitro biological activity. Its value is in peptide synthesis and as a scaffold material for 3D cell culture. The compound's self-assembly properties enable the formation of hydrogels that can support cell growth and differentiation in three dimensions. The compound itself is not tested in biological assays for pharmacological activity but is used as a reagent and scaffold material in cell biology research.
ln Vivo
As a synthetic building block and scaffold material, Fmoc-Ala-Ala-OH does not have direct in vivo biological activity. Its value is in peptide synthesis and as a scaffold material for 3D cell culture. The compound is not intended for administration to animals or humans as a therapeutic agent. Its biological relevance is indirect, through the peptides synthesized using it or the 3D cell culture scaffolds formed from it. The compound itself is a chemical reagent used in research and development.
Enzyme Assay
In vitro enzyme/receptor binding assays are not applicable to Fmoc-Ala-Ala-OH as it is a synthetic building block and scaffold material with no direct biological activity. The compound is characterized by chemical analysis methods such as HPLC for purity assessment (≥98%), NMR for structural confirmation, and mass spectrometry. Its physicochemical properties, including density (1.3±0.1 g/cm³), boiling point (674.2±45.0 °C), melting point (175-179°C), and logP (3.07), are determined by standard chemical characterization techniques. No enzyme or receptor binding studies have been reported or are relevant for this compound.
Cell Assay
Cell culture experiments with Fmoc-Ala-Ala-OH focus on its use as a scaffold material for 3D cell culture. The compound self-assembles into hydrogels in aqueous media, providing a three-dimensional environment for cell growth. Cells are encapsulated in the hydrogel, and cell viability, proliferation, differentiation, and morphology are assessed over time. The hydrogel's mechanical properties, porosity, and degradation rate can be tuned by varying the concentration and formulation. These studies are relevant for tissue engineering, stem cell research, and drug screening applications. However, the compound itself is not a pharmacological agent and is not tested for direct biological activity.
Animal Protocol
In vivo animal experiments are not applicable to Fmoc-Ala-Ala-OH as a therapeutic agent. However, the hydrogels formed from this compound could be implanted in animal models for tissue engineering and regenerative medicine studies. The hydrogels would serve as scaffolds to support tissue regeneration, deliver cells or growth factors, or provide structural support. Endpoints would include tissue integration, host response, and functional recovery. However, specific in vivo protocols for Fmoc-Ala-Ala-OH hydrogels are not extensively documented. Researchers should develop appropriate animal models based on their specific research objectives.
ADME/Pharmacokinetics
Pharmacokinetic properties are not applicable to Fmoc-Ala-Ala-OH as a therapeutic agent. The compound is used as a synthetic building block and scaffold material, not as a systemically administered drug. Its physicochemical properties include molecular weight 382.41, molecular formula C21H22N2O5, melting point 175-179°C, and logP 3.07. The compound is a solid powder. Solubility: DMSO ~12.5 mg/mL (~32.69 mM). Storage: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month. These properties are relevant for chemical synthesis and hydrogel formation rather than pharmacokinetics.
Toxicity/Toxicokinetics
Toxicology data for Fmoc-Ala-Ala-OH are limited. The compound is known to cause skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). It is not intended for human use, and comprehensive toxicology studies have not been conducted. The compound should be handled with appropriate safety precautions as a chemical reagent. Standard laboratory safety practices should be followed, including use of appropriate personal protective equipment and working in a well-ventilated area. The compound should be stored properly and disposed of in accordance with applicable regulations. Researchers should consult the material safety data sheet (MSDS) for detailed safety information. The compound is for research use only and is not for human use.
References

[1]. Nanostructured Hydrogels for Three-Dimensional Cell Culture Through Self-Assembly of Fluorenylmethoxycarbonyl–Dipeptides. Advanced materials.2006 Mar 02.

Additional Infomation
Fmoc-Ala-Ala-OH has CAS number 87512-31-0, molecular formula C21H22N2O5, and molecular weight 382.41. It is a self-assembled Fmoc-protected dipeptide consisting of two L-alanine residues. Synonyms: Fmoc-L-Ala-L-Ala-OH, Fmoc-alanyl-alanine. Purity: ≥98%. Appearance: Solid powder. Melting point: 175-179°C. Solubility: DMSO ~12.5 mg/mL (~32.69 mM). Storage: powder at -20°C for 3 years, 4°C for 2 years; in solvent at -80°C for 6 months, -20°C for 1 month. Not for human use; for research purposes only. The compound is a valuable building block for peptide synthesis and a scaffold material for 3D cell culture.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C21H22N2O5
Molecular Weight
382.4098
Exact Mass
382.152
CAS #
87512-31-0
PubChem CID
7019063
Appearance
White to off-white solid powder
Density
1.3±0.1 g/cm3
Boiling Point
674.2±45.0 °C at 760 mmHg
Melting Point
175-179°C
Flash Point
361.6±28.7 °C
Vapour Pressure
0.0±2.2 mmHg at 25°C
Index of Refraction
1.595
LogP
3.07
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
7
Heavy Atom Count
28
Complexity
573
Defined Atom Stereocenter Count
2
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChi Key
VXGGBPQPMISJCA-STQMWFEESA-N
InChi Code
InChI=1S/C21H22N2O5/c1-12(19(24)22-13(2)20(25)26)23-21(27)28-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,12-13,18H,11H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/t12-,13-/m0/s1
Chemical Name
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]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 Data
Solubility (In Vitro)
DMSO : ~12.5 mg/mL (~32.69 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.27 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 12.5 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: ≥ 1.25 mg/mL (3.27 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 12.5 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.

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Solubility in Formulation 3: ≥ 1.25 mg/mL (3.27 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 12.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.6150 mL 13.0750 mL 26.1499 mL
5 mM 0.5230 mL 2.6150 mL 5.2300 mL
10 mM 0.2615 mL 1.3075 mL 2.6150 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.

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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