![1H-Cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-acetic acid, 5,5-difluoro-3b,4,4a,5-tetrahydro-3-(trifluoromethyl)-, (3bS,4aR)-](/upload/0290/1566e8b3-eeaa-48dc-bfbb-2171ea92e364.png)
| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
The biological targets of this compound are not defined in the available literature. Based on its structure, which contains a pyrazole core and fluorine substituents, it may have potential as a pharmaceutical intermediate or biologically active compound. The trifluoromethyl and difluoro groups are common in drug discovery for improving metabolic stability and potency. However, no specific molecular targets have been reported.
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| ln Vitro |
In vitro activity data for this compound are not available in the published literature. As a research chemical, its biological activity has not been characterized. The compound may be a synthetic intermediate or a building block for the preparation of more complex molecules. Its pyrazole core is a common pharmacophore in medicinal chemistry, suggesting potential utility in drug discovery, but specific activity data are lacking.
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| ln Vivo |
In vivo activity is not applicable as this compound is a research chemical with no reported biological activity. It is not a therapeutic agent and has no known in vivo pharmacological activity. Its use is primarily in chemical research and development. No animal studies have been reported for this specific compound in the available literature.
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| Enzyme Assay |
In vitro non-cellular assays for this compound are not typically performed as it is a research chemical with no defined biological activity. Characterization protocols include: (1) determine purity by HPLC; (2) confirm identity by NMR spectroscopy (¹H, ¹³C, ¹⁹F); (3) assess optical purity by chiral HPLC; (4) measure melting point and boiling point; (5) characterize by mass spectrometry; and (6) evaluate stability under various storage conditions.
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| Cell Assay |
In vitro cellular assays are not applicable. This compound is a research chemical and is not typically used in biological or cell-based studies. It is not intended for diagnostic, therapeutic, or research applications involving living cells without further characterization. Standard safety practices should be followed when handling the material.
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| Animal Protocol |
In vivo animal experiments are not applicable. This compound is not a drug candidate and has no reported in vivo activity. It is not evaluated in animal models for efficacy or safety. No pharmacokinetic or toxicological studies in animals are conducted for this material. It is used exclusively in chemical research.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable as this compound is a research chemical, not a drug. It is not administered systemically. Its chemical properties include a molecular weight of 282.17, a molecular formula of C₁₀H₇F₅N₂O₂, and a predicted boiling point of 325.8±42.0°C. It is a chiral compound with (3bS,4aR) stereochemistry.
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| Toxicity/Toxicokinetics |
The toxicity profile of this compound is not characterized. As a fluorinated organic compound, it may have significant toxicity. It is for research use only and is not intended for human consumption. Standard laboratory safety practices should be followed when handling the material. Avoid inhalation and skin contact. Use appropriate personal protective equipment.
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| Additional Infomation |
This compound is also known as 2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetic acid. The molecular formula is C₁₀H₇F₅N₂O₂ and the molecular weight is 282.17. This product is not a drug and has no clinical trial or regulatory approval status.
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| Molecular Formula |
C10H7F5N2O2
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| Molecular Weight |
282.17
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| Exact Mass |
282.043
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| CAS # |
1620056-83-8
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| PubChem CID |
90281286
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| Appearance |
Typically exists as solids at room temperature
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| Boiling Point |
325.8±42.0 °C at 760 mmHg
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| LogP |
0
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
427
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1[C@H]2[C@@H]1C(C3=C2C(=NN3CC(=O)O)C(F)(F)F)(F)F
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| InChi Key |
KKEFPICWHXMILG-IUYQGCFVSA-N
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| InChi Code |
InChI=1S/C10H7F5N2O2/c11-9(12)4-1-3(4)6-7(10(13,14)15)16-17(8(6)9)2-5(18)19/h3-4H,1-2H2,(H,18,19)/t3-,4+/m0/s1
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| Chemical Name |
2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic 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 | 3.5440 mL | 17.7198 mL | 35.4396 mL | |
| 5 mM | 0.7088 mL | 3.5440 mL | 7.0879 mL | |
| 10 mM | 0.3544 mL | 1.7720 mL | 3.5440 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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