| 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 | |||
| 500mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
CID-797718 targets protein kinase D1 (PKD1). In vitro inhibitory activity (IMAP-FP assay): IC50 = 13.7 ± 0.42 µM (mean ± SEM, n=3). [1]
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|---|---|
| ln Vitro |
CID-797718 showed moderate inhibition of PKD1 in an IMAP-based fluorescence polarization assay with an IC50 of 13.7 µM. It was approximately 10-fold less potent than CID755673. [1]
Modifications of CID-797718 including O-allylation, O-silylation, N-carbobenzyloxylation, and ortho-chlorination resulted in complete loss of PKD1 inhibitory activity. [1] |
| Enzyme Assay |
The IMAP-based PKD1 fluorescence polarization (FP) assay was used to assess PKD1 inhibitory activity. PKD1 kinase reactions were assembled in a miniaturized volume (6 µL) by adding 3× concentrations of substrate/ATP (300 nM/60 µM), test compound, and PKD1 enzyme (0.18 milliunits/mL). Kinase reactions were incubated for 90 min at room temperature and stopped by addition of IMAP binding reagent. Plates were then incubated for 2 h and IMAP-based FP data were captured on a fluorescence plate reader. IC50 determinations were conducted within the linear range of the signal readout (n=3). [1]
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| References |
Pharmaceutics.2011;3(2):186-228.
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| Additional Infomation |
CID-797718 is a chromenopyridine derivative and a by-product in the synthesis of CID755673. It served as a starting point for first-generation SAR studies of PKD inhibitors. However, all attempts to improve its activity by substitution of the phenolic hydroxyl group, N-alkylation, or ortho-halogenation resulted in complete loss of PKD1 activity, leading to abandonment of the chromenopyridine scaffold. [1]
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| Molecular Formula |
C12H11NO3
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|---|---|
| Molecular Weight |
217.2206
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| Exact Mass |
217.073
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| CAS # |
370586-05-3
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| PubChem CID |
797718
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| Appearance |
Light brown to brown solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
517.6±50.0 °C at 760 mmHg
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| Flash Point |
266.8±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.673
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| LogP |
1.24
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
16
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| Complexity |
350
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C(C2=C(C3C([H])=C(C([H])=C([H])C1=3)O[H])C([H])([H])C([H])([H])C([H])([H])N2[H])=O
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| InChi Key |
VDZXTSOINJESSP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-11(8)12(15)16-10/h3-4,6,13-14H,1-2,5H2
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| Chemical Name |
9-Hydroxy-1,2,3,4-tetrahydro-5H-chromeno[3,4-b]pyridin-5-one
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| Synonyms |
CID 797718; CID-797718; CID797718.
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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) |
DMSO : ≥ 49 mg/mL (~225.58 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 | 4.6036 mL | 23.0181 mL | 46.0363 mL | |
| 5 mM | 0.9207 mL | 4.6036 mL | 9.2073 mL | |
| 10 mM | 0.4604 mL | 2.3018 mL | 4.6036 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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