| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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CID-2011756, discovered from an HTS-high throughput screening campaign, is a cell-permeable, ATP-competitive and specific inhibitor of PKD (protein kinase D) with potential anticancer activity. It inhibits PKD2/3/1 with IC50 values of 0.6, 0.7 and 3.2 μM, respectively. Diacylglycerol regulates a novel family of serine/threonine kinases called PKD, which is implicated in numerous cellular functions as well as a range of pathological conditions. In LNCaP prostate cancer cells, phorbol ester-induced endogenous PKD1 activation is inhibited by CID-2011756 in a concentration-dependent manner.
| Targets |
Cellular PKD2 ( IC50 = 0.6 μM ); Cellular PKD3 ( IC50 = 0.7 μM ); PKD1 ( IC50 = 3.2 μM )
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| ln Vivo |
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| Enzyme Assay |
CID 2011756 has comparable, though not identical, potencies to pan-PKD inhibitors (PKD2 IC50 = 0.6±0.1 uM; PKD3 IC50 = 0.7±0.2 uM), as might be expected for an ATP competitive inhibitor. At 10±0.7 uM (n = 3), CID 2011756 had the highest potency among the inhibitors. This EC50 value was similar to that of benzoxoloazepinolone, which we had previously reported.
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| Cell Assay |
In LNCaP prostate cancer cells, it inhibits endogenous PKD1 activation induced by phorbol ester in a concentration-dependent manner.
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| Animal Protocol |
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| References |
| Molecular Formula |
C22H21CLN2O3
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| Molecular Weight |
396.87
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| Exact Mass |
396.124
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| Elemental Analysis |
C, 66.58; H, 5.33; Cl, 8.93; N, 7.06; O, 12.09
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| CAS # |
638156-11-3
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| Related CAS # |
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| PubChem CID |
2011756
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
491.0±45.0 °C at 760 mmHg
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| Flash Point |
250.8±28.7 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.633
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| LogP |
3.69
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
506
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C([H])C([H])=C([H])C(=C1[H])C1=C([H])C([H])=C(C(N([H])C2C([H])=C([H])C(=C([H])C=2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=O)O1
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| InChi Key |
XQJWTJLJEYIUDZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H21ClN2O3/c23-18-3-1-2-17(14-18)20-8-9-21(28-20)22(26)24-19-6-4-16(5-7-19)15-25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26)
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| Chemical Name |
5-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
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| Synonyms |
CID 2011756; CID-2011756; CID2011756
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (5.04 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 20.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL 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: ≥ 2 mg/mL (5.04 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 is to be prepared, you can add 100 μL of 20.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5197 mL | 12.5986 mL | 25.1972 mL | |
| 5 mM | 0.5039 mL | 2.5197 mL | 5.0394 mL | |
| 10 mM | 0.2520 mL | 1.2599 mL | 2.5197 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.
 Select, novel PKD1 SMI display inhibition of cellular PKD1 phosphorylation at Ser916.PLoS One.2011;6(10):e25134. |
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 Docking simulations of select cellular active PKD1 small molecule inhibitors in a conserved PKA catalytic core.PLoS One.2011;6(10):e25134. |
 Confirmed novel PKD1 inhibitors display competitive activity with respect to ATP.PLoS One.2011;6(10):e25134. |
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