| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
None; it is a chemical building block with no intrinsic biological activity. However, when incorporated into peptides, the fluorine may influence interactions with biological targets by altering the peptide's conformation or hydrogen-bonding capacity.
|
|---|---|
| ln Vitro |
Not applicable; the compound itself is not tested for pharmacological effects. It is a reagent for synthesizing fluorinated proline-containing peptides. These peptides may exhibit altered bioactivity, such as improved binding affinity or resistance to proteolysis.
|
| ln Vivo |
Not applicable; it is not administered to animals. Its safety and efficacy are not evaluated as a standalone compound.
|
| Enzyme Assay |
Standard analytical techniques: HPLC for purity (>98%), mass spectrometry for molecular weight confirmation, and NMR (¹H, ¹³C, ¹⁹F) for structural verification. Optical rotation is measured to confirm chirality. No enzyme binding assays are performed with this intermediate.
|
| Cell Assay |
Not applicable; it is not used in cell-based assays. Peptides containing this residue may be tested, but not the free amino acid derivative.
|
| Animal Protocol |
Not applicable; no animal studies are conducted with this compound. It is a synthetic intermediate for peptide-based therapeutics that may undergo preclinical testing after full assembly.
|
| ADME/Pharmacokinetics |
If administered, the Boc group would be cleaved under acidic conditions, and the fluoro-proline would be metabolized like other amino acids. However, it is not intended for systemic exposure. As a chemical, it should be handled with care.
|
| Toxicity/Toxicokinetics |
Low toxicity; may cause mild irritation upon skin or eye contact. Acute oral toxicity is expected to be low (LD₅₀ > 2000 mg/kg). No genotoxicity or carcinogenicity data are available. Standard lab safety precautions apply (gloves, lab coat, fume hood).
|
| Additional Infomation |
This compound is crucial for synthesizing fluorinated proline-containing bioactive peptides, such as collagen mimetics and inhibitors of prolyl hydroxylases. The cis-fluoro substitution can stabilize the cis-trans conformation of the peptide bond, providing valuable tools for studying protein folding and molecular recognition. It is intended for research use only.
|
| Molecular Formula |
C10H16FNO4
|
|---|---|
| Molecular Weight |
233.24
|
| Exact Mass |
233.106
|
| CAS # |
203866-13-1
|
| PubChem CID |
2756017
|
| Appearance |
White to off-white solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
346.0±42.0 °C at 760 mmHg
|
| Melting Point |
157-161.ºC
|
| Flash Point |
163.0±27.9 °C
|
| Vapour Pressure |
0.0±1.6 mmHg at 25°C
|
| Index of Refraction |
1.488
|
| LogP |
0.48
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
16
|
| Complexity |
300
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
F[C@]1([H])C([H])([H])N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C(=O)O[H])C1([H])[H]
|
| InChi Key |
YGWZXQOYEBWUTH-BQBZGAKWSA-N
|
| InChi Code |
InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
|
| Chemical Name |
(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic 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) |
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
|
|---|---|
| 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 | 4.2874 mL | 21.4371 mL | 42.8743 mL | |
| 5 mM | 0.8575 mL | 4.2874 mL | 8.5749 mL | |
| 10 mM | 0.4287 mL | 2.1437 mL | 4.2874 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
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