DCLX069 (DCLX-069) is a novel, SAM-competitive and selective PRMT1 (protein arginine methyltransferase 1) inhibitor (IC50 =17.9 µM) with anticancer effects. DCLX069 effectively blocks cell proliferation in breast cancer, liver cancer, and acute myeloid leukemia cell lines. DCLX069 effectively blocked cell proliferation in breast cancer, liver cancer and acute myeloid leukemia cell lines.
Physicochemical Properties
| Molecular Formula | C20H25N3O2 |
| Molecular Weight | 339.439 |
| Exact Mass | 339.194 |
| CAS # | 792946-69-1 |
| PubChem CID | 2997002 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 515.9±50.0 °C at 760 mmHg |
| Flash Point | 265.8±30.1 °C |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.611 |
| LogP | 2.63 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 25 |
| Complexity | 417 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | RITRCMIWRZBDID-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H25N3O2/c1-2-25-20(24)17-8-9-19(18(21)14-17)23-12-10-22(11-13-23)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15,21H2,1H3 |
| Chemical Name | ethyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate |
| Synonyms | DCLX 069 DCLX-069 DCLX069 |
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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
| ln Vitro | In a concentrated cell form, DCLX069 (12.5-100 μM) efficiently inhibits cell growth in acute leukemia, bone marrow, and breast cancer cell lines (MCF7, HepG2, and THP1) [1]. |
| References |
[1]. Virtual screening and biological evaluation of novel small molecular inhibitors against protein arginine methyltransferase 1 (PRMT1). Org Biomol Chem. 2014 Dec 21;12(47):9665-73. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~294.61 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.37 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 (7.37 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 (7.37 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 | 2.9460 mL | 14.7301 mL | 29.4603 mL | |
| 5 mM | 0.5892 mL | 2.9460 mL | 5.8921 mL | |
| 10 mM | 0.2946 mL | 1.4730 mL | 2.9460 mL |