| Size | Price | Stock | Qty |
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| 25g |
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| 50g |
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| Other Sizes |
| Targets |
1-Boc-3-(hydroxymethyl)pyrrolidine is an intermediate of SR 9009, a synthetic REV-ERB agonist that regulates circadian behavior and metabolism. REV-ERB (reverse erythroblastosis virus) proteins are nuclear receptors that function as transcriptional repressors and are key regulators of the circadian clock and metabolic pathways. REV-ERB agonists are being investigated for the treatment of sleep disorders, metabolic diseases, and inflammatory conditions. The compound's pyrrolidine core and hydroxymethyl group provide a scaffold for the synthesis of REV-ERB agonists and other nuclear receptor modulators. The Boc-protected amine allows for selective deprotection and further functionalization to optimize target engagement and pharmacokinetic properties. The compound may also serve as a precursor for other biologically active molecules targeting the circadian clock and metabolic pathways.
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| ln Vitro |
In vitro, 1-Boc-3-(hydroxymethyl)pyrrolidine is used as an intermediate in the synthesis of SR 9009 and other REV-ERB agonists. It is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery. In medicinal chemistry, it serves as a building block for the synthesis of pyrrolidine-containing drug candidates targeting the circadian clock and metabolic pathways. Its Boc-protected amine allows for selective deprotection under acidic conditions, while the hydroxymethyl group allows for oxidation to aldehyde or carboxylic acid, or conversion to other functional groups. 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 1-Boc-3-(hydroxymethyl)pyrrolidine are focused on its use as a chemical reagent. Standard protocols for the synthesis of SR 9009 and other REV-ERB agonists involve the compound as a key intermediate. The Boc group can be removed under acidic conditions, and the hydroxymethyl group can be oxidized to an aldehyde or carboxylic acid for further functionalization. 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 1-Boc-3-(hydroxymethyl)pyrrolidine. Instead, its derivatives, such as SR 9009 and other REV-ERB agonists, are evaluated in cell-based systems. For REV-ERB agonists, cell lines are treated with the derivatives, and REV-ERB activity, circadian gene expression, and metabolic endpoints are measured. The parent compound itself is not used as a test article in cell-based experiments due to its role as a synthetic intermediate.
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| Animal Protocol |
Animal studies are not conducted with the parent compound 1-Boc-3-(hydroxymethyl)pyrrolidine. Its derivatives, such as SR 9009 and other REV-ERB agonists, are evaluated in animal models of sleep disorders, metabolic diseases, and inflammatory conditions. 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 1-Boc-3-(hydroxymethyl)pyrrolidine are not available, as the compound is primarily a chemical intermediate rather than a drug candidate. With a molecular weight of 201.26 g/mol, 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 |
1-Boc-3-(hydroxymethyl)pyrrolidine is a research chemical, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is an intermediate of SR 9009, a synthetic REV-ERB agonist that regulates circadian behavior and metabolism, and has potential use in the treatment of sleep disorders and metabolic diseases. It is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery. The compound has a molecular formula of C10H19NO3 and a molecular weight of 201.26 g/mol. It should be stored as pure form at -20°C for up to 3 years or in solvent at -80°C for up to 1 year.
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| Molecular Formula |
C10H19NO3
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| Molecular Weight |
201.26
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| Exact Mass |
201.136
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| CAS # |
114214-69-6
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| PubChem CID |
5237175
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| Appearance |
Light yellow to light brown liquid（Density：1.089 g/cm3）
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
289.5±13.0 °C at 760 mmHg
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| Flash Point |
128.9±19.8 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.484
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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 |
3
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| Heavy Atom Count |
14
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| Complexity |
210
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)OC(=O)N1CCC(C1)CO
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| InChi Key |
HKIGXXRMJFUUKV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3
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| Chemical Name |
tert-butyl 3-(hydroxymethyl)pyrrolidine-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 |
| 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 | 4.9687 mL | 24.8435 mL | 49.6870 mL | |
| 5 mM | 0.9937 mL | 4.9687 mL | 9.9374 mL | |
| 10 mM | 0.4969 mL | 2.4843 mL | 4.9687 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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