| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
|
| Targets |
PKD1 1 nM (IC50) PKD2 2.5 nM (IC50) PKD3 2 nM (IC50) PIM2 135.7 nM (IC50)
|
|---|---|
| ln Vitro |
CRT0066101 (5 µM; 1 h) blocks basal and NT-induced pS916-PKD1/2 (activated PKD1/2) in Panc-1 and Panc-28 cells. CRT0066101 abolishes NT-induced Hsp27 (pS82-Hsp27) phosphorylation, attenuates PKD1-mediated NF-κB activation, and eliminates the expression of NF-κB-dependent proliferative and pro-survival proteins[1]. CRT0066101 significantly inhibits Panc-1 cell proliferation with an IC50 value of 1 µM. CRT0066101 induces apoptosis of Panc-1 cells 6-10-fold. CRT0066101 significantly reduces the proliferation of Colo357, Panc-1, MiaPaCa-2, and AsPC-1 cells, but has some effects on Capan-2 cells[1].
|
| ln Vivo |
CRT0066101 (80 mg/kg/day; oral gavage; once daily; for 21 days) effectively blocked tumor growth in vivo in the Panc-1 orthotopic model [1].
|
| Cell Assay |
Western Blot Analysis[1]
Cell Types: Panc-1 and Panc-28 cells stimulation with neurotensin (NT) Concentration: 5 µM Incubation Duration: 1 h Experimental Results: Blocked both the basal and NT-induced pS916-PKD1/2 (activated PKD1/2). |
| Animal Protocol |
Animal/Disease Models:CR-UK nu/nu mice injected with Panc-1 cells[1]
Doses: 80 mg/kg/day Route of Administration: Oral gavage; once daily; for 21 days Experimental Results: Potently blocked tumor growth in vivo. |
| References |
|
| Molecular Formula |
C18H22N6O
|
|---|---|
| Molecular Weight |
338.41
|
| Exact Mass |
374.162
|
| CAS # |
956123-34-5
|
| PubChem CID |
136189563
|
| Appearance |
Solid powder
|
| LogP |
2.522
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
25
|
| Complexity |
411
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
Cl.OC1=CC=C(C2C=NN(C)C=2)C=C1C1=NC=CC(=N1)NC[C@@H](CC)N
|
| InChi Key |
SCJXQZZYGYLKJG-CQSZACIVSA-N
|
| InChi Code |
InChI=1S/C18H22N6O/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)/t14-/m1/s1
|
| Chemical Name |
2-[4-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-(1-methylpyrazol-4-yl)phenol
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : 100 mg/mL (295.50 mM; with sonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.39 mM)(Saturation unknown) in 10% DMSO 40% PEG300 5% Tween-80 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, add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix well; then add 50 μL Tween-80 to the above system and mix well; then add 450 μL saline to make it 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: ≥ 2.5 mg/mL (7.39 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, add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD in saline and mix well. *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. Solubility in Formulation 3: ≥ 2.5 mg/mL (7.39 mM)(saturation unknown) in 10% DMSO 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution, add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9550 mL | 14.7750 mL | 29.5500 mL | |
| 5 mM | 0.5910 mL | 2.9550 mL | 5.9100 mL | |
| 10 mM | 0.2955 mL | 1.4775 mL | 2.9550 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
