| Size | Price | Stock | Qty |
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| 25g |
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| 50g |
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| Other Sizes |
| Targets |
(S)-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, it is a precursor for histamine H3 receptor antagonists and descarboxamide analogs of Nω-nitro-L-argininyl derivatives. Histamine H3 receptors are involved in the regulation of neurotransmitter release in the central nervous system, and their antagonists are being investigated for the treatment of neurological disorders such as Alzheimer's disease, schizophrenia, and attention deficit hyperactivity disorder. The compound's role as a chiral building block means that its derivatives may target various biological pathways depending on the final drug molecule synthesized. Its use in peptide synthesis suggests that it may be incorporated into peptides with specific biological activities.
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| ln Vitro |
In vitro, (S)-1-Boc-3-aminopyrrolidine is used in solid-phase peptide synthesis for amine protection. It is also used as a raw material for organic synthesis, pharmaceuticals, agrochemicals, and dyestuffs. The compound serves as a key intermediate in the synthesis of various pharmaceuticals, particularly in the development of drugs targeting neurological disorders. It can be used to prepare descarboxamide analogs of Nω-nitro-L-argininyl derivatives. In medicinal chemistry, it is used to synthesize histamine H3 receptor antagonists. The compound's chiral nature makes it valuable for asymmetric synthesis, enabling the production of enantiomerically pure drug candidates. It is also used as a building block for constructing complex molecular architectures in drug discovery and development.
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| ln Vivo |
In vivo activity is mediated through the derivatives of (S)-1-Boc-3-aminopyrrolidine rather than the parent compound itself. For example, histamine H3 receptor antagonists synthesized from this compound are evaluated in animal models of neurological disorders. These studies typically involve assessing cognitive function, memory, and behavioral parameters in rodent models of Alzheimer's disease, schizophrenia, or attention deficit hyperactivity disorder. The descarboxamide analogs of Nω-nitro-L-argininyl derivatives prepared from this compound may be evaluated in animal models of cardiovascular or neurological conditions. However, specific in vivo studies on the parent compound are not documented, as it is a synthetic intermediate rather than a pharmacological agent.
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| Enzyme Assay |
Cell-free assays involving (S)-1-Boc-3-aminopyrrolidine are focused on its use as a chemical reagent in peptide synthesis and organic chemistry. Standard protocols for peptide synthesis involve coupling the compound with a carboxylic acid using coupling reagents such as HATU and DIPEA in DMF, followed by Boc deprotection with TFA. The reaction progress is monitored by HPLC or MS. For the synthesis of histamine H3 receptor antagonists, the compound is used as a starting material in multi-step synthetic routes. The compound's Boc-protected amine allows for selective deprotection and functionalization, enabling the construction of complex molecular scaffolds. Its chiral nature makes it valuable for asymmetric synthesis, and the enantiomeric purity of the compound is critical for the biological activity of the final drug molecules.
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| Cell Assay |
Cellular assays are not performed with the parent compound (S)-1-Boc-3-aminopyrrolidine. Instead, its derivatives, such as histamine H3 receptor antagonists, are evaluated in cell-based systems. For histamine H3 receptor antagonists, assays may involve measuring receptor binding affinity in cell lines expressing the H3 receptor, or functional assays measuring neurotransmitter release or cAMP accumulation. The parent compound itself is not used as a test article in cell-based experiments due to its role as a synthetic building block. Its derivatives may also be evaluated in neuronal cell cultures for neuroprotective effects or other relevant endpoints.
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| Animal Protocol |
Animal studies are not conducted with the parent compound (S)-1-Boc-3-aminopyrrolidine. Its derivatives, including histamine H3 receptor antagonists, are evaluated in animal models of neurological disorders. In these studies, compounds are administered orally, intraperitoneally, or intravenously to rodents, and behavioral, cognitive, and biochemical parameters are assessed. For Alzheimer's disease models, memory and cognitive function are evaluated using maze tests and novel object recognition. For schizophrenia models, prepulse inhibition and social interaction tests may be used. The parent compound itself is not administered to animals, as it is a synthetic intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for the parent compound (S)-1-Boc-3-aminopyrrolidine are not available, as it is primarily a synthetic intermediate rather than a drug candidate. As a small polar molecule with a molecular weight of 186.25 g/mol and an estimated LogP of approximately 1.0, it is expected to have moderate bioavailability if administered, but it is not intended for therapeutic use. The compound's Boc-protected amine and pyrrolidine ring may influence its absorption, distribution, metabolism, and excretion. However, comprehensive pharmacokinetic studies have not been performed, as the compound is not intended for systemic administration. 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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| Toxicity/Toxicokinetics |
Toxicological data for (S)-1-Boc-3-aminopyrrolidine indicate that it is classified as Acute Tox. 3 (Oral) and Eye Dam. 1. This indicates that the compound is toxic if swallowed and can cause serious eye damage. The storage class is 6.1C (combustible, acute toxic). Appropriate safety precautions should be taken when handling the compound, including the use of personal protective equipment such as gloves, safety goggles, and protective clothing. The compound should be handled in a well-ventilated area, and contact with skin and eyes should be avoided. In case of exposure, affected areas should be rinsed thoroughly with water, and medical attention should be sought if necessary. The compound is not classified as a carcinogen or mutagen based on available data, but comprehensive toxicological evaluation has not been performed. As with all research chemicals, it should be handled with care and used only in accordance with safety guidelines.
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| Additional Infomation |
(S)-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 key intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. Its defined stereochemistry and orthogonal amine protection render it invaluable for asymmetric synthesis and solid-phase peptide chemistry. It is specifically used to protect amines in the solid-phase synthesis of peptides and is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals, and dyestuff fields. The compound is widely utilized in research focused on pharmaceutical development, particularly in the development of drugs targeting neurological disorders. It can be used to prepare descarboxamide analogs of Nω-nitro-L-argininyl derivatives and is a precursor for histamine H3 receptor antagonists. The compound is a liquid with a boiling point of 216-217°C, a density of 1.067 g/mL, and an optical activity [α]20/D of −2°. It should be stored in a cool, dry place away from incompatible materials.
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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 # |
147081-44-5
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| PubChem CID |
854071
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| Appearance |
Typically exists as solid at room temperature
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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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| 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 |
N[C@@H]1CN(C(OC(C)(C)C)=O)CC1
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| InChi Key |
CMIBWIAICVBURI-ZETCQYMHSA-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-/m0/s1
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| Chemical Name |
tert-butyl (3S)-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) |
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 | 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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