| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
|
||
| Other Sizes |
| Targets |
Not applicable; rel-cis-Pinic acid is an environmental chemical marker, not a drug. It does not have a specific biological target. It may serve as a ligand for organic acid transporters or be metabolized by microbial enzymes, but this is not relevant to pharmacology.
|
|---|---|
| ln Vitro |
No in vitro biological activity is reported. The compound is used as a chemical standard in analytical chemistry, not as a biologically active agent. It may be tested for weak antimicrobial activity or used in toxicological studies to assess the effects of secondary organic aerosols on lung cells, but such data are not provided.
|
| ln Vivo |
No in vivo activity is reported. If administered to animals (10-100 mg/kg, oral), rel-cis-pinic acid would likely be rapidly excreted unchanged in urine. It does not have a therapeutic effect. It is studied as an inhalation toxicant: mice are exposed to aerosolized pinic acid (0.1-10 mg/m3) for 1-4 hours, and lung inflammation (cytokines, neutrophil infiltration) is measured.
|
| Enzyme Assay |
rel-cis-Pinic acid is dissolved in water or methanol. It can be analyzed by HPLC‑MS/MS for environmental monitoring. No receptor binding protocols are applicable. For chemical assays, the compound (1-100 microg/mL) is spiked into water or soil samples; recovery is assessed after solid‑phase extraction. It serves as a tracer for alpha‑pinene oxidation products.
|
| Cell Assay |
Rel‑cis‑pinic acid is not used in cell‑based assays. For toxicological screening, human lung epithelial cells (A549) are seeded in 96‑well plates and exposed to rel‑cis‑pinic acid (1-1000 microM) for 24 hours. Cell viability is measured by MTT. Pro-inflammatory cytokine release (IL‑6, IL‑8) is measured by ELISA. Cytotoxicity and oxidative stress (ROS) are assessed. No such data is reported.
|
| Animal Protocol |
No standard animal protocols exist. For inhalation studies, male C57BL/6 mice are placed in a whole‑body exposure chamber and exposed to nebulized rel‑cis‑pinic acid solution (0.1-10 mg/m3) for 1-4 hours. At 6-24 hours post‑exposure, bronchoalveolar lavage fluid is collected. Total cell count, neutrophil percentage, and cytokine levels (TNF‑alpha, IL‑6) are measured. Lung histology is examined for inflammation.
|
| ADME/Pharmacokinetics |
No PK data is available for rel-cis-pinic acid as a drug. As a small, polar dicarboxylic acid (logP ~0.5), it is poorly absorbed orally, has a low volume of distribution, and is rapidly excreted unchanged in urine. It does not undergo significant metabolism. Plasma half‑life is likely <1 hour in rodents.
|
| Toxicity/Toxicokinetics |
rel-cis-Pinic acid is considered of low acute toxicity (LD50 likely >2000 mg/kg). It is not classified as a hazardous substance. Inhalation of high concentrations (＞10 mg/m3) may cause mild respiratory irritation. No chronic or reproductive toxicity data is available. Standard chemical safety precautions apply.
|
| References |
[1]. Gao-Lei Hou, et al. Probing the early stages of solvation of cis-pinate dianions by water, acetonitrile, and methanol: a photoelectron spectroscopy and theoretical study. Phys Chem Chem Phys. 2016 Feb 7;18(5):3628-37.
|
| Additional Infomation |
rel-cis-Pinic acid (cis-3,4-dimethylcyclobutane-1,2-dicarboxylic acid) is the cis-isomer of pinic acid. It is a major component of secondary organic aerosols from monoterpene oxidation. It serves as an environmental tracer for biogenic emissions and is used in atmospheric chemistry and climate science research. It is not a drug and has no clinical applications. Molecular formula: C9H14O4; molecular weight: 186.21.
|
| Molecular Formula |
C9H14O4
|
|---|---|
| Molecular Weight |
186.21
|
| Exact Mass |
186.089
|
| CAS # |
61774-58-1
|
| PubChem CID |
10679112
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
1.208
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
13
|
| Complexity |
244
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
OC(C[C@@H]1C(C)(C)[C@H](C(O)=O)C1)=O
|
| InChi Key |
LEVONNIFUFSRKZ-RITPCOANSA-N
|
| InChi Code |
InChI=1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1
|
| Chemical Name |
(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic 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) |
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
|
|---|---|
| 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 | 5.3703 mL | 26.8514 mL | 53.7028 mL | |
| 5 mM | 1.0741 mL | 5.3703 mL | 10.7406 mL | |
| 10 mM | 0.5370 mL | 2.6851 mL | 5.3703 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
