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| Other Sizes |
| Targets |
1-Boc-Nipecotic acid does not have a defined pharmacological target as it is a synthetic intermediate rather than a therapeutic agent. The compound is a protected amino acid derivative used in peptide synthesis and medicinal chemistry. Derivatives of nipecotic acid (such as the unprotected form) are known to interact with GABA transporters, as nipecotic acid is a GABA reuptake inhibitor. The Boc protecting group is removed during synthesis to yield the active nipecotic acid moiety.
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| ln Vitro |
No direct in vitro pharmacological activity data are available for 1-Boc-nipecotic acid as it is a synthetic intermediate. The compound is used in organic synthesis and drug discovery as a building block for creating more complex molecules. Its biological activity would depend on the final compounds synthesized from it. In research settings, the compound is evaluated for its chemical reactivity and suitability as a synthetic precursor rather than for direct biological activity.
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| ln Vivo |
No in vivo pharmacological activity data exist for 1-Boc-nipecotic acid as it is not a therapeutic agent. The compound is used exclusively in chemical synthesis and is not administered to animals for pharmacological evaluation. Its derivatives may be studied in animal models after deprotection and further functionalization. The compound is handled in chemistry laboratories for organic synthesis applications.
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| Enzyme Assay |
For non-cellular assays, 1-Boc-nipecotic acid is characterized by standard analytical techniques including GC, titration, HPLC, and NMR to confirm identity and purity. The compound can be evaluated as a substrate in synthetic reactions. Typical protocols involve dissolving the compound in appropriate organic solvents and analyzing reaction mixtures by chromatographic methods. Purity is typically ≥95% or >97.0% by GC and titration. The compound should be stored in a dark place, sealed, and dry at room temperature.
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| Cell Assay |
1-Boc-nipecotic acid is not used in cell-based assays as it is a chemical intermediate rather than a biological test compound. The compound is intended for organic synthesis applications in laboratory settings. If handling in a biological laboratory context, standard safety precautions should be taken. The compound is a piperidine carboxylic acid derivative used primarily as a building block for synthesizing pharmaceuticals and bioactive molecules.
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| Animal Protocol |
1-Boc-nipecotic acid is not used in animal studies as it is a chemical reagent for synthesis. The compound is handled in chemistry laboratories with appropriate personal protective equipment. Storage: keep in a dark place, sealed in dry conditions at room temperature. The compound should be protected from light and moisture. Standard handling procedures for chemical intermediates should be followed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for 1-Boc-nipecotic acid as it is a synthetic intermediate. The compound has a molecular weight of 229.27 and molecular formula C11H19NO4. It is a solid at room temperature. Storage: keep in a dark place, sealed in dry conditions at room temperature. Purity: typically ≥95% or >97.0%. The compound is stable under recommended storage conditions. Solubility: soluble in common organic solvents.
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| Toxicity/Toxicokinetics |
Toxicological data for 1-Boc-nipecotic acid are limited as it is a chemical intermediate. The compound is for research use only and not for human therapeutic applications. Standard laboratory safety practices should be followed when handling this chemical. Specific LD50 values and detailed toxicological profiles have not been extensively reported. The compound should be handled with appropriate personal protective equipment including gloves and safety glasses.
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| Additional Infomation |
1-Boc-Nipecotic acid (CAS 84358-12-3) is also known as 1-Boc-3-piperidinecarboxylic acid or 1-(tert-butoxycarbonyl)nipecotic acid. It is a Boc-protected nipecotic acid derivative used as a biochemical reagent and organic synthesis intermediate. The compound is a piperidine class compound and is supplied in various research-grade pack sizes. No clinical trials or therapeutic approvals exist; the product is exclusively for research purposes.
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| Molecular Formula |
C11H19NO4
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|---|---|
| Molecular Weight |
229.27
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| Exact Mass |
229.131
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| CAS # |
84358-12-3
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| PubChem CID |
2735647
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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 |
353.2±35.0 °C at 760 mmHg
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| Melting Point |
159-162 °C(lit.)
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| Flash Point |
167.4±25.9 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.496
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| LogP |
1.09
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
16
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| Complexity |
282
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(N1CC(C(O)=O)CCC1)OC(C)(C)C
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| InChi Key |
NXILIHONWRXHFA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
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| Chemical Name |
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic 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 | 4.3617 mL | 21.8083 mL | 43.6167 mL | |
| 5 mM | 0.8723 mL | 4.3617 mL | 8.7233 mL | |
| 10 mM | 0.4362 mL | 2.1808 mL | 4.3617 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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