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Purity: ≥98%
| Targets |
CRT 0066101 targets protein kinase D (PKD), specifically PKD1, PKD2, and PKD3. It is a potent inhibitor with an IC₅₀ of 1 nM for PKD1. By inhibiting PKD, it blocks downstream signaling pathways involved in cell proliferation, survival, and migration. CRT 0066101 is a selective PKD inhibitor that has been used to study the role of PKD in cancer and other diseases.
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| ln Vitro |
CRT0066101 Multiple phosphotype hubs including A549 (lung) and MiaPaCa-2 (pancreas) enhance PKD1/2 activity without inhibiting PKCα/PKCβ/PKCε activity. CRT0066101 significantly inhibits Panc-1 cell tumors with an IC50 value of 1 μM. Treatment with CRT0066101 resulted in 6-10-fold cellular inflammation of Panc-1 cells. CRT0066101 significantly reduces cell swelling of Colo357, Panc-1, MiaPaCa-2 and AsPC-1, but not Capan-2 CRT0066101 (5 μM) burns basal and NT induced in Panc-1 and Panc-28 cells pS916-PKD1/2 (activated PKD1/2). CRT0066101 reduces PKD signaling NF-κB activation and NF-κB-dependent gene expression in Panc-1 [1].
In vitro, CRT 0066101 is a potent PKD inhibitor with an IC₅₀ of 1 nM for PKD1. It shows selectivity over other kinases, making it a useful tool for studying PKD-specific functions. It inhibits PKD activity and has been shown to reduce cancer cell proliferation and survival in various cell lines. The compound's effects on PKD-mediated signaling pathways have been characterized in cell-based assays. |
| ln Vivo |
The optimal treatment concentration of CRT0066101 (8 μM) was detectable 6 hours after oral administration of the drug. Oral CRT0066101 (80 mg/kg/day) for 28 days significantly eliminated PaCa growth in the Panc-1 subcutaneous xenograft model. Activated PKD1/2 expression was significantly inhibited in treated tumor explants, reaching tumor concentrations of CRT0066101 (12 μM) within 2 hours after substratification. In addition, administration of CRT0066101 (80 mg/kg/day) in the Panc-1 orthotopic model resulted in effective tumor expansion and growth in vivo for 21 days. CRT0066101 significantly reduced the Ki-67+ proliferation index, increased TUNEL+ pancreatic cells (p<0.05), and eliminated the expression of NF-κB proteins, including cyclin D1, histulin, and cIAP-1[1].
Specific in vivo data for CRT 0066101 are not extensively detailed in the available literature. However, as a potent PKD inhibitor, it has been studied in preclinical models of cancer. It has shown efficacy in reducing tumor growth in xenograft models. The compound's pharmacokinetic properties and tolerability have been evaluated in animal studies. |
| Enzyme Assay |
The enzymatic activity of CRT 0066101 can be assessed using kinase assays with recombinant PKD1. The kinase is incubated with its substrate and ATP in the presence of varying concentrations of CRT 0066101. The extent of phosphorylation is measured using techniques such as radioactive labeling or immunoassay. The IC₅₀ for PKD inhibition is determined from dose-response curves.
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| Cell Assay |
To evaluate the cellular effects of CRT 0066101, cancer cell lines are treated with the compound. Cell proliferation, viability, and apoptosis are assessed using standard assays such as MTT, BrdU incorporation, and Annexin V/PI staining. The inhibition of PKD activity is confirmed by Western blotting using phospho-specific antibodies against PKD substrates. The effects on downstream signaling pathways (e.g., MAPK, NF-κB) are also evaluated.
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| Animal Protocol |
In vivo studies with CRT 0066101 typically involve administration to tumor-bearing mice in xenograft models. The compound's effects on tumor growth, angiogenesis, and survival are assessed. Pharmacokinetic parameters, such as bioavailability and half-life, are also characterized. The compound's effects on PKD activity and downstream signaling in tumors are evaluated by immunohistochemistry or Western blotting.
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| ADME/Pharmacokinetics |
CRT 0066101 has a molecular formula and weight that are not specified in the available literature. Its CAS number is 1883545-60-5. It is a potent PKD inhibitor. It is soluble in DMSO and other organic solvents. The purity is typically >98%. It should be stored according to the manufacturer's instructions.
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| Toxicity/Toxicokinetics |
Specific toxicology data for CRT 0066101 are not extensively detailed in the available literature. However, its use in animal models at effective doses suggests a degree of tolerability. As with all research compounds, standard safety precautions should be taken when handling CRT 0066101. It is intended for research use only and is not for human consumption.
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| References | |
| Additional Infomation |
CRT 0066101 is a potent inhibitor of protein kinase D (PKD) with an IC₅₀ of 1 nM for PKD1. It is a selective PKD inhibitor used as a research tool to study PKD-mediated signaling pathways in cancer and other diseases. CRT 0066101 inhibits cancer cell proliferation and survival and has shown efficacy in preclinical models.
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| Molecular Formula |
C18H24CL2N6O
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|---|---|
| Molecular Weight |
411.3288
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| Exact Mass |
410.14
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| Elemental Analysis |
C, 52.56; H, 5.88; Cl, 17.24; N, 20.43; O, 3.89
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| CAS # |
1883545-60-5
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| Related CAS # |
1883545-60-5
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| PubChem CID |
136664697
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| Appearance |
Off-white to light yellow solid powder
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
27
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| Complexity |
411
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC[C@H](CNC1=NC(=NC=C1)C2=C(C=CC(=C2)C3=CN(N=C3)C)O)N.Cl.Cl
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| InChi Key |
CXYCRYGNFKDPRH-FMOMHUKBSA-N
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| InChi Code |
InChI=1S/C18H22N6O.2ClH/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13;;/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23);2*1H/t14-;;/m1../s1
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| Chemical Name |
2-[4-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-(1-methylpyrazol-4-yl)phenol;dihydrochloride
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| Synonyms |
CRT 0066101; CRT-0066101; CRT0066101
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
H2O : ~50 mg/mL (~121.56 mM)
DMSO : ~11.36 mg/mL (~27.62 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.14 mg/mL (2.77 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 11.4 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.14 mg/mL (2.77 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 11.4 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 1.14 mg/mL (2.77 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 25 mg/mL (60.78 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4311 mL | 12.1557 mL | 24.3114 mL | |
| 5 mM | 0.4862 mL | 2.4311 mL | 4.8623 mL | |
| 10 mM | 0.2431 mL | 1.2156 mL | 2.4311 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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