Ac-β-Ala-OH
Based on 1 Customer Validation
Ac-β-Ala-OH is an abnormal amino acid metabolite and also serves as a mono-N-protected amino acid (MPAA) ligand. Ac-β-Ala-OH supports the β-C (sp3)-H arylation of aliphatic carboxylic acids and also serves as a starting building block for the reverse MAP core in the construction of the gonorrhea vaccine candidate TMCP2.
For research use only. We do not sell to patients.
- Purity : 98.0%
- CAS No.: 3025-95-4
- Formula: C5H9NO3
- Molecular Weight:131.13
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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All Endogenous Metabolite Isoforms
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Biological Activity
Description
IC50 & Target
[1]|
Human Endogenous Metabolite |
In Vitro
Ac-β-Ala-OH promotes the Pd (II)-catalyzed γ-C (sp3)-H alkenylation reaction, yielding the alkenylated product of ketone substrate 1a and the lactone product of free carboxylic acid 4a in 40% and 27% yields, respectively[1].
Ac-β-Ala-OH is an effective ligand for Pd-catalyzed β-C (sp3)-H arylation of aliphatic carboxylic acids in HFIP solvent, exhibiting reactivity toward α-quaternary carbon, α-non-quaternary carbon, and propionic acid substrates, with good functional group tolerance and excellent product yields[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. .
Chemical Information
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CAS No. 3025-95-4
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Appearance Solid
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Molecular Weight 131.13
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Formula C5H9NO3
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Color White to off-white
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SMILES
O=C(O)CCNC(C)=O
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Structure Classification
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Initial Source
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
In Vitro:
DMSO : 100 mg/mL (762.60 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (19.07 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (19.07 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (277 KB)
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SDS (396 KB)
- English - EN (396 KB)
- Français - FR (396 KB)
- Deutsch - DE (396 KB)
- Norwegian - NO (396 KB)
- Español - ES (396 KB)
- Swedish - SV (396 KB)
- Italian - IT (396 KB)
- Korean - KR (396 KB)
- Portuguese - PT (396 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 7.6260 mL | 38.1301 mL | 76.2602 mL | 190.6505 mL |
| 5 mM | 1.5252 mL | 7.6260 mL | 15.2520 mL | 38.1301 mL | |
| 10 mM | 0.7626 mL | 3.8130 mL | 7.6260 mL | 19.0650 mL | |
| 15 mM | 0.5084 mL | 2.5420 mL | 5.0840 mL | 12.7100 mL | |
| 20 mM | 0.3813 mL | 1.9065 mL | 3.8130 mL | 9.5325 mL | |
| 25 mM | 0.3050 mL | 1.5252 mL | 3.0504 mL | 7.6260 mL | |
| 30 mM | 0.2542 mL | 1.2710 mL | 2.5420 mL | 6.3550 mL | |
| 40 mM | 0.1907 mL | 0.9533 mL | 1.9065 mL | 4.7663 mL | |
| 50 mM | 0.1525 mL | 0.7626 mL | 1.5252 mL | 3.8130 mL | |
| 60 mM | 0.1271 mL | 0.6355 mL | 1.2710 mL | 3.1775 mL | |
| 80 mM | 0.0953 mL | 0.4766 mL | 0.9533 mL | 2.3831 mL | |
| 100 mM | 0.0763 mL | 0.3813 mL | 0.7626 mL | 1.9065 mL |
Ac-β-Ala-OH Related Classifications
HY-66007 Related Classifications
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Keywords
- Ac-β-Ala-OH
- 3025-95-4
- Endogenous Metabolite
- synthetic intermediate
- mono-N-protected amino acid ligand
- aliphatic carboxylic acids
- N-acetyl-β-alanine-derived ligand
- palladium-catalyzed β-C(sp3)-H arylation
- ketone derivatives
- TMCP2 gonococcal vaccine candidate
- palladium-catalyzed γ-C(sp3)-H olefination
- reverse MAP core construct
- free carboxylic acids
- Inhibitor
- inhibitor
- inhibit