| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
The compound does not have a defined molecular target in the context of drug discovery; rather, it is a chemical tool. Its "target" is the experimental system itself, where it is used to probe the structure and function of proteins and enzymes. Its role is to facilitate the study of amino acid analogs and their interactions, contributing to the understanding of basic biological processes rather than modulating a specific receptor or enzyme for therapeutic purposes.
|
|---|---|
| ln Vitro |
In vitro, the primary activity of this compound is as a biochemical research tool. It is not typically evaluated for classical pharmacological activity like receptor binding or enzyme inhibition. Instead, its activity is demonstrated by its utility in experiments. For instance, it can be used to study the neurological properties of molecules and to investigate protein-protein interactions in vitro. There are no specific IC50 values reported for biological targets, as it is not a drug candidate but a reagent for basic research.
|
| ln Vivo |
The compound itself is not intended for in vivo administration as a drug and thus has no reported in vivo therapeutic activity. It is designed for use in laboratory settings to facilitate biochemical assays. Its "in vivo" applications would be indirect, such as being used in the synthesis of more complex molecules that are then studied in animal models. As a research chemical, it is not used to treat or prevent any disease in living organisms.
|
| Enzyme Assay |
Non-cellular (enzyme/receptor binding) assay protocols are not directly applicable to this compound, as it is not a ligand for a known biological receptor. However, as a chemical probe, it can be used in assays designed to study protein structure. A general protocol for its use might involve incorporating it into a protein crystallization buffer to study ligand-induced conformational changes. Its solubility allows for preparation of stock solutions in DMSO, which can then be diluted into aqueous buffers for various biochemical experiments.
|
| Cell Assay |
The compound is not typically used in standard cell-based assays for drug discovery, as it is not a bioactive molecule. However, it can be used as a negative control or as a tool to study cellular processes indirectly. Researchers may expose cell lines such as neuronal cells to the compound (e.g., at concentrations of 1-100 uM) to assess any nonspecific effects on cell viability, using assays like MTT, before using it in more complex experiments. No specific cellular responses are attributed to it.
|
| Animal Protocol |
There are no established in vivo animal experiment protocols for this compound as a primary test article. Its role in animal research would be limited to being a synthetic intermediate. For example, a drug candidate synthesized from this compound could be tested in a rodent model of neurological disease (e.g., rats at 10-50 mg/kg, oral or IP) to measure behavioral changes or biomarker levels. The parent compound, however, is not directly administered for efficacy studies.
|
| ADME/Pharmacokinetics |
The compound has a molecular weight of 199.25 g/mol. Its calculated LogP value is 0.62, indicating moderate solubility in both lipid and aqueous environments. It has a density of 1.1+/-0.1 g/cm3 and a boiling point of 443.6+/-18.0 degC. The compound is a white to off-white solid powder that is soluble in DMSO (up to ~200 mg/mL). It is stable under standard laboratory conditions and can be stored as a powder at -20degC for up to three years.
|
| Toxicity/Toxicokinetics |
As a research chemical, this compound should be handled with standard laboratory safety precautions. It is primarily an irritant and may cause skin and eye irritation upon contact. Avoid inhalation of dust. The compound is not classified as a highly toxic substance, but as with all laboratory chemicals, it should not be ingested. Always wear appropriate personal protective equipment (PPE), including gloves, a lab coat, and safety goggles, when handling the compound.
|
| References | |
| Additional Infomation |
This compound is strictly for research use only and is not intended for human or veterinary therapeutic applications. Its significance lies in its use as a building block for the synthesis of more complex molecules and as a tool for studying neurological properties and protein interactions. It is a high-purity biochemical assay reagent used to advance basic science research in fields such as neurochemistry and enzymology.
|
| Molecular Formula |
C10H17NO3
|
|---|---|
| Molecular Weight |
199.25
|
| Exact Mass |
199.121
|
| CAS # |
99189-60-3
|
| PubChem CID |
665664
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
443.6±18.0 °C at 760 mmHg
|
| Melting Point |
141-146 °C(lit.)
|
| Flash Point |
222.1±21.2 °C
|
| Vapour Pressure |
0.0±2.3 mmHg at 25°C
|
| Index of Refraction |
1.497
|
| LogP |
0.62
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
14
|
| Complexity |
232
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
NC(CC1(CC(O)=O)CCCCC1)=O
|
| InChi Key |
QJGSJXLCJRXTRY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H17NO3/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H2,11,12)(H,13,14)
|
| Chemical Name |
2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic 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) |
DMSO : ~200 mg/mL (~1003.76 mM; with ultrasonication)
|
|---|---|
| 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 | 5.0188 mL | 25.0941 mL | 50.1882 mL | |
| 5 mM | 1.0038 mL | 5.0188 mL | 10.0376 mL | |
| 10 mM | 0.5019 mL | 2.5094 mL | 5.0188 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
Copyright 2020 InvivoChem LLC | All Rights Reserved
