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| Targets |
GRK6-IN-2 targets G protein-coupled receptor kinase 6 (GRK6), an enzyme involved in the desensitization and internalization of GPCRs through receptor phosphorylation. GRK6 is a critical kinase required for the survival of multiple myeloma (MM) cells. The compound inhibits recombinant full-length human GRK6 with an IC50 of 120 nM. It also shows activity against Aurora A with an IC50 of 11.0 nM.
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| ln Vitro |
In vitro, GRK6-IN-2 is a potent inhibitor of GRK6 with an IC50 of 120 nM. It inhibits recombinant full-length human GRK6. The compound also inhibits human Aurora A with an IC50 of 11.0 nM, indicating some selectivity concerns. GRK6-IN-2 has potential antitumor activity and has been studied in multiple myeloma.
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| ln Vivo |
In vivo, GRK6-IN-2 has potential for the study of multiple myeloma. However, specific in vivo efficacy data in animal models are not detailed in the available literature. As a research compound, it is being investigated for its ability to inhibit tumor growth in MM models.
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| Enzyme Assay |
The in vitro enzyme inhibition assay for GRK6-IN-2 involves measuring the kinase activity of recombinant full-length human GRK6 in the presence of the compound. The IC50 value of 120 nM is determined by quantifying the reduction in GRK6-mediated phosphorylation. Kinase assays typically use radiolabeled ATP or fluorescence-based detection methods to measure phosphate transfer to a substrate peptide.
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| Cell Assay |
In vitro cell-based assays for GRK6-IN-2 involve treating multiple myeloma cells with the compound and assessing cell viability and proliferation. GRK6 is required for MM cell survival, so inhibition of GRK6 is expected to reduce cell viability. The compound’s effects on GRK6 downstream signaling pathways, such as GPCR desensitization, may also be evaluated.
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| Animal Protocol |
In vivo animal studies for GRK6-IN-2 would likely involve xenograft mouse models of multiple myeloma. Tumor-bearing mice would be treated with GRK6-IN-2, and tumor growth inhibition would be monitored. The compound’s ability to extend survival in MM models would be a key endpoint.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of GRK6-IN-2 are not extensively detailed in the available literature. The compound is soluble in DMSO (≥100 mg/mL, 265.65 mM) and methanol (≥125 mg/mL, 332.07 mM). For storage, powder should be kept at -20°C for up to 3 years, and in solvent at -80°C for 6 months or -20°C for 1 month.
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| Toxicity/Toxicokinetics |
No specific toxicity data for GRK6-IN-2 are available in the provided literature. As a kinase inhibitor, potential off-target effects, particularly against Aurora A (IC50 11.0 nM), would need to be evaluated. The compound is for research use only and not for human therapeutic applications.
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| References | |
| Additional Infomation |
GRK6-IN-2 is a research tool for studying the role of GRK6 in multiple myeloma. It is a potent GRK6 inhibitor with an IC50 of 120 nM. The compound also inhibits Aurora A (IC50 11.0 nM). It is available for research purposes only. Its CAS number is 2677786-27-3.
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| Molecular Formula |
C21H21FN6
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|---|---|
| Molecular Weight |
376.430046796799
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| Exact Mass |
376.181
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| CAS # |
2677786-27-3
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| PubChem CID |
163196292
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| Appearance |
White to off-white solid powder
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| LogP |
5.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
28
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| Complexity |
486
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| Defined Atom Stereocenter Count |
1
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| SMILES |
FC1C=CC(=CC=1)[C@H](C)NC1N=C2C=CC=CC2=C(N=1)NC1C=C(CC)NN=1
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| InChi Key |
QIKJAWWGNVSEHB-ZDUSSCGKSA-N
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| InChi Code |
InChI=1S/C21H21FN6/c1-3-16-12-19(28-27-16)25-20-17-6-4-5-7-18(17)24-21(26-20)23-13(2)14-8-10-15(22)11-9-14/h4-13H,3H2,1-2H3,(H3,23,24,25,26,27,28)/t13-/m0/s1
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| Chemical Name |
4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]quinazoline-2,4-diamine
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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) |
Methanol :≥ 125 mg/mL (~332.07 mM)
DMSO : ≥ 100 mg/mL (~265.65 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 | 2.6565 mL | 13.2827 mL | 26.5654 mL | |
| 5 mM | 0.5313 mL | 2.6565 mL | 5.3131 mL | |
| 10 mM | 0.2657 mL | 1.3283 mL | 2.6565 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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