HJC0197 (HJC-0197) is a novel and potent EPAC (erythromycin propionate-N-acetylcysteinate) inhibitor and an Epac2 antagonist (IC50=5.9 μM for Epac2) with anticancer activity. It can block pancreatic cancer cell migration and invasion by specifically blocking cAMP-induced Epac activation.
Physicochemical Properties
| Molecular Formula | C19H21N3OS |
| Molecular Weight | 339.45 |
| Exact Mass | 339.141 |
| Elemental Analysis | C, 67.23; H, 6.24; N, 12.38; O, 4.71; S, 9.45 |
| CAS # | 1383539-73-8 |
| PubChem CID | 136228204 |
| Appearance | White to off-white solid powder |
| LogP | 4.208 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 24 |
| Complexity | 609 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S(CC1C=C(C)C=CC=1C)C1NC(C(C#N)=C(C2CCCC2)N=1)=O |
| InChi Key | QLLWRTHDHRGHQZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H21N3OS/c1-12-7-8-13(2)15(9-12)11-24-19-21-17(14-5-3-4-6-14)16(10-20)18(23)22-19/h7-9,14H,3-6,11H2,1-2H3,(H,21,22,23) |
| Chemical Name | 4-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile |
| Synonyms | HJC 0197; HJC-0197; HJC0197 |
| 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) |
Biological Activity
| Targets | Epac1; Epac2 ( IC50 = 5.9 µM ) |
| ln Vitro | HJC0197 (25 μM) likewise suppresses Rap1-GDP exchange activity mediated by Epac1 at 25 μM when cAMP concentration is equal[1]. |
| References |
[1]. 5-Cyano-6-oxo-1,6-dihydro-pyrimidines as potent antagonists targeting exchange proteins directly activated by cAMP. Bioorg Med Chem Lett. 2012 Jun 15;22(12):4038-43. |
Solubility Data
| Solubility (In Vitro) |
DMSO: ~68 mg/mL (~200.3 mM) Ethanol: ~14 mg/mL Water: ~8 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.36 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 25.0 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: ≥ 2.5 mg/mL (7.36 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 25.0 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (7.36 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 25.0 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 | 2.9459 mL | 14.7297 mL | 29.4594 mL | |
| 5 mM | 0.5892 mL | 2.9459 mL | 5.8919 mL | |
| 10 mM | 0.2946 mL | 1.4730 mL | 2.9459 mL |