| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Targets |
CRAC intermediate 2 does not have a direct biological target; it is a chemical intermediate used in the synthesis of CRAC channel inhibitors. Its role is in organic synthesis, where it serves as a precursor for the preparation of more complex molecules that target CRAC channels. The compound is disclosed in patent WO 2013059666A1. CRAC channels, specifically the Orai1 and STIM1 proteins, are the molecular targets of the final compounds synthesized from this intermediate. By inhibiting CRAC channels, these compounds can modulate calcium signaling in immune cells, thereby exerting immunosuppressive and anti-inflammatory effects.
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| ln Vitro |
CRAC intermediate 2 does not have intrinsic biological activity; its activity is related to its role as a chemical intermediate. It is used in the synthesis of CRAC channel inhibitors, which are the active compounds. The intermediate's physicochemical properties, such as its molecular weight of 295.18 g/mol and its solubility in organic solvents, are important for its use in chemical synthesis. It is a solid powder with a purity of ≥98%.
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| ln Vivo |
In vivo activity data are not applicable for CRAC intermediate 2, as it is a chemical intermediate rather than a biologically active compound. The in vivo activity would be associated with the final CRAC channel inhibitors synthesized from this intermediate. These inhibitors would be evaluated in animal models of inflammatory and autoimmune diseases.
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| Enzyme Assay |
In vitro assays are not typically performed for CRAC intermediate 2, as it is a chemical intermediate rather than a drug candidate. Its purity and identity can be confirmed by HPLC, NMR, and MS. Its reactivity and suitability for use in organic synthesis can be assessed by standard chemical reactions.
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| Cell Assay |
In vitro cell-based assays are not typically performed for CRAC intermediate 2. As a chemical intermediate, its primary use is in organic synthesis. Its effects on cell viability or metabolism are not standard assays for this compound.
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| Animal Protocol |
In vivo animal studies are not typically conducted for CRAC intermediate 2. As a chemical intermediate, its primary use is in synthesis. Its safety has likely been assessed for industrial handling, but it is not a therapeutic agent.
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| ADME/Pharmacokinetics |
CRAC intermediate 2 has a molecular weight of 295.18 g/mol and a molecular formula of C₁₁H₇F₆N₃. As a chemical intermediate, its physicochemical properties are tailored for use in organic synthesis. It is a solid powder with a purity of ≥98%. It should be stored as a powder at -20°C, protected from moisture and light.
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| Toxicity/Toxicokinetics |
The toxicological profile of CRAC intermediate 2 is not extensively documented. As a research chemical, its safety profile would be evaluated in preclinical studies. For laboratory handling, standard safety precautions for research chemicals should be observed, including the use of personal protective equipment (gloves, lab coat, safety goggles) and working in a well-ventilated area. The compound is intended for research use only and is not for human therapeutic or diagnostic use.
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| Additional Infomation |
CRAC intermediate 2 is a key intermediate used in the synthesis of CRAC channel inhibitors. It is disclosed in patent WO 2013059666A1. It has a molecular formula of C₁₁H₇F₆N₃ and a molecular weight of approximately 295.18 g/mol. The compound is also known as 4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline. CRAC intermediate 2 is supplied as a solid powder with a purity of ≥98%. It is for research use only.
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| Molecular Formula |
C11H7F6N3
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|---|---|
| Molecular Weight |
295.1838
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| Exact Mass |
295.054
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| CAS # |
123066-64-8
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| PubChem CID |
2740668
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
298.4±40.0 °C at 760 mmHg
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| Flash Point |
134.3±27.3 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.506
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| LogP |
3.06
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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 |
1
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| Heavy Atom Count |
20
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| Complexity |
334
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
XOXBUERZFCPKDR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H7F6N3/c12-10(13,14)8-5-9(11(15,16)17)20(19-8)7-3-1-6(18)2-4-7/h1-5H,18H2
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| Chemical Name |
4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline
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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) |
DMSO : ≥ 52 mg/mL (~176.16 mM)
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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 | 3.3878 mL | 16.9388 mL | 33.8776 mL | |
| 5 mM | 0.6776 mL | 3.3878 mL | 6.7755 mL | |
| 10 mM | 0.3388 mL | 1.6939 mL | 3.3878 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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