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Purity: ≥98%
CRT 0066101 is a novel, potent and selective inhibitor of protein kinase D (PKD) with IC50 values of 1, 2.5 and 2 nM for PKD1, 2, and 3 respectively. CRT 0066101 demonstrates selectivity for PKD against more than 90 protein kinases, such as PKCα, MEK, ERK, c-Raf, and c-Src.
| 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].
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| 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].
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| References |
| Molecular Formula |
C18H24CL2N6O
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|---|---|
| Molecular Weight |
411.33
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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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| Appearance |
Solid powder
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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 |
| 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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