| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| 50g |
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| Other Sizes |
| Targets |
(R)-1-Boc-3-aminopyrrolidine does not have a specific primary biological target, as it functions primarily as a synthetic intermediate rather than a direct pharmacological agent. However, its derivatives, particularly those where the Boc group is removed and the amine is further functionalized, may target various biological pathways. The compound's chiral pyrrolidine core is a common motif in pharmaceuticals that interact with various biological targets including neurotransmitter receptors, enzymes, and ion channels. Its defined (R)-stereochemistry is critical for the biological activity of the final drug molecules. The compound serves as a precursor for histamine H3 receptor antagonists and other neurological drugs. Its derivatives may target histamine receptors in the central nervous system for the treatment of Alzheimer's disease, schizophrenia, and attention deficit hyperactivity disorder. The compound's Boc-protected amine allows for selective deprotection and functionalization to optimize target engagement and pharmacological properties.
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| ln Vitro |
In vitro, (R)-1-Boc-3-aminopyrrolidine is used as a chiral building block in asymmetric synthesis. It is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research. The compound's Boc-protected amine allows for selective deprotection under acidic conditions, enabling further functionalization. Its defined (R)-stereochemistry makes it valuable for the synthesis of enantiomerically pure drug candidates. In medicinal chemistry, the compound serves as a scaffold for the synthesis of pyrrolidine-containing drug candidates, particularly those targeting neurological disorders. Its use in peptide synthesis involves the introduction of (R)-3-aminopyrrolidine residues into peptide sequences. In organic synthesis, it is used as a versatile building block for creating complex molecules efficiently.
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| Enzyme Assay |
Cell-free assays for (R)-1-Boc-3-aminopyrrolidine are focused on its use as a chemical reagent. Standard protocols for Boc deprotection involve treating the compound with TFA in dichloromethane to remove the Boc group. The resulting amine can then be further functionalized through amidation, alkylation, or other transformations. The reaction progress is monitored by TLC or HPLC, and the products are purified by column chromatography. The compound's reactivity can be studied using various analytical techniques including NMR spectroscopy, mass spectrometry, and HPLC. Its use as a building block for pharmaceutical synthesis involves standard organic synthesis procedures.
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| Cell Assay |
Cellular assays are not performed with the parent compound (R)-1-Boc-3-aminopyrrolidine. Instead, its derivatives, such as histamine H3 receptor antagonists and other drug candidates, are evaluated in cell-based systems. For histamine H3 receptor antagonists, cell lines expressing the H3 receptor are treated with the derivatives, and receptor binding and signaling are measured. The parent compound itself is not used as a test article in cell-based experiments due to its role as a synthetic building block.
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| Animal Protocol |
Animal studies are not conducted with the parent compound (R)-1-Boc-3-aminopyrrolidine. Its derivatives, such as histamine H3 receptor antagonists, are evaluated in animal models of neurological disorders. The parent compound itself is not administered to animals, as it is a synthetic intermediate. Toxicity and pharmacological profiles for the parent compound are inferred from related pyrrolidine derivatives.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for (R)-1-Boc-3-aminopyrrolidine are not available, as the compound is primarily a chemical intermediate rather than a drug candidate. With a molecular weight of 186.25 g/mol and appearing as a liquid, the compound would be expected to have moderate membrane permeability if administered. However, comprehensive pharmacokinetic studies including absorption, distribution, metabolism, and excretion have not been performed, as the compound is not intended for therapeutic use. For research purposes, the compound is typically handled as a neat chemical and not administered to living organisms for pharmacokinetic profiling.
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| Additional Infomation |
(R)-1-Boc-3-aminopyrrolidine is a research chemical, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is a chiral pyrrolidine derivative with defined (R)-stereochemistry. It is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research. The compound has a molecular formula of C9H18N2O2 and a molecular weight of 186.25 g/mol. It appears as a liquid with a boiling point of 243-244 °C, a flash point of 91 °C, and a density of 1.1 g/mL. It has a purity of ≥98% by GC and should be stored at room temperature.
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| Molecular Formula |
C9H18N2O2
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|---|---|
| Molecular Weight |
186.25
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| Exact Mass |
186.136
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| CAS # |
147081-49-0
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| Related CAS # |
1-Boc-3-Aminopyrrolidine; 186550-13-0
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| PubChem CID |
854070
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| Appearance |
Colorless to light yellow liquid（Density：1.067±0.06 g/cm3）
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
257.4±33.0 °C at 760 mmHg
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| Melting Point |
243-244°C
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| Flash Point |
109.5±25.4 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.489
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| LogP |
0.28
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
198
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C)OC(=O)N1CC[C@@H](N)C1
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| InChi Key |
CMIBWIAICVBURI-SSDOTTSWSA-N
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| InChi Code |
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
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| Chemical Name |
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMSO: ~200 mg/mL (~1073.8 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.42 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 2.5 mg/mL (13.42 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (13.42 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.3691 mL | 26.8456 mL | 53.6913 mL | |
| 5 mM | 1.0738 mL | 5.3691 mL | 10.7383 mL | |
| 10 mM | 0.5369 mL | 2.6846 mL | 5.3691 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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