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| Other Sizes |
| Targets |
FMOC-D-Allo-THR(TBU)-OH does not have a biological target. It is a protected amino acid building block used in peptide synthesis. The Fmoc group protects the amino group during peptide synthesis, allowing for selective deprotection and coupling reactions. The tBu group protects the hydroxyl group of the threonine side chain. The D-allo configuration provides specific stereochemistry to the final peptide.
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| ln Vitro |
Fischer and Sandosham were able to produce FMOC-D-Allo-THR(TBU)-OH in 8% yield by deprotecting the tBu ester with 25% Cl2CHCOOH and protecting the tBu hydroxyl group with H2SO4/2-methacrylene.
Specific in vitro activity data are not applicable for FMOC-D-Allo-THR(TBU)-OH as it is not a pharmacologically active compound. Its utility is demonstrated through its use in peptide synthesis. The compound can be synthesized by protection of hydroxy groups with the tBu group using H2SO4/2-methylpropene and deprotection of tBu ester by 25% Cl2CHCOOH. |
| ln Vivo |
Cellular assays are not applicable for FMOC-D-Allo-THR(TBU)-OH as it is not a pharmacologically active drug. It is a chemical intermediate used in peptide synthesis.
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| Enzyme Assay |
A cell-free assay is not applicable for FMOC-D-Allo-THR(TBU)-OH as it is not a pharmacologically active drug targeting a specific enzyme or receptor. Its purity is typically confirmed by HPLC and other analytical methods.
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| Cell Assay |
Cellular experiments are not applicable for FMOC-D-Allo-THR(TBU)-OH as it is not a pharmacologically active drug. It is a chemical intermediate used in peptide synthesis.
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| Animal Protocol |
In vivo animal experiments are not applicable for FMOC-D-Allo-THR(TBU)-OH as it is not a pharmacologically active drug.
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| ADME/Pharmacokinetics |
FMOC-D-Allo-THR(TBU)-OH has a molecular formula of C23H27NO5 and a molecular weight of 397.46 g/mol. Its CAS number is 170643-02-4. The compound is a solid. Specific pharmacokinetic properties are not applicable as it is not a therapeutic drug. For storage, it should be kept at -20°C.
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| Toxicity/Toxicokinetics |
Toxicity data for FMOC-D-Allo-THR(TBU)-OH are not provided in the available sources. As a chemical intermediate, it should be handled with appropriate safety precautions. It is intended for research use only and is not for human consumption.
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| References |
[1]. Mari Kikuchi, et al. Improved synthesis of d-allothreonine derivatives from l-threonine. Tetrahedron. 26 August 2013, 69(34):7098-7101.
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| Additional Infomation |
FMOC-D-Allo-THR(TBU)-OH (CAS: 170643-02-4) is an Fmoc-protected derivative of D-allothreonine. Its synonyms include N-α-(9-Fluorenylmethoxycarbonyl)-O-(t-butyl)-D-allo-threonine. The compound is used as a building block in peptide synthesis. It is not a therapeutic drug and is strictly for research purposes.
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| Molecular Formula |
C23H27NO5
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|---|---|
| Molecular Weight |
397.46418
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| Exact Mass |
397.188
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| CAS # |
170643-02-4
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| PubChem CID |
10949330
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
581.7±50.0 °C at 760 mmHg
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| Flash Point |
305.6±30.1 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.569
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| LogP |
5.45
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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 |
29
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| Complexity |
564
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| Defined Atom Stereocenter Count |
2
|
| SMILES |
C[C@@H](OC(C)(C)C)[C@@H](NC(OCC1C2=CC=CC=C2C3=CC=CC=C31)=O)C(O)=O
|
| InChi Key |
LZOLWEQBVPVDPR-JLTOFOAXSA-N
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| InChi Code |
InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20-/m1/s1
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| Chemical Name |
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
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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 |
| 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 | 2.5160 mL | 12.5799 mL | 25.1598 mL | |
| 5 mM | 0.5032 mL | 2.5160 mL | 5.0320 mL | |
| 10 mM | 0.2516 mL | 1.2580 mL | 2.5160 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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