ML367 is a novel and potent inhibitor of ATPase family AAA domain-containing protein 5 (ATAD5) stabilization, it acts as a probe molecule that has low micromolar inhibitory activity. ML367 blocks DNA repair pathways, suppresses general DNA damage responses including RPA32-phosphorylation and CHK1-phosphorylation in response to UV irradiation.
Physicochemical Properties
| Molecular Formula | C19H12F2N4 |
| Molecular Weight | 334.322190284729 |
| Exact Mass | 334.103 |
| CAS # | 381168-77-0 |
| PubChem CID | 921541 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Complexity | 432 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC1=C(C=CC(=C1)NC1C2C=CC=CC=2N=C(C2C=CN=CC=2)N=1)F |
| InChi Key | LBPYNNJXARHGAG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H12F2N4/c20-15-6-5-13(11-16(15)21)23-19-14-3-1-2-4-17(14)24-18(25-19)12-7-9-22-10-8-12/h1-11H,(H,23,24,25) |
| Chemical Name | N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine |
| Synonyms | ML367 ML-367 ML 367 |
| 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
| ln Vitro | In HEK293T cells, ML367 (0–40 μM, 16 hours) decreases FLAG-ATAD5 stability whether 20 μM 5-FUrd is present or not[1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: HEK293T cells Tested Concentrations: 0-40 μM in the presence or absence of 20 μM 5-Furd Incubation Duration: 16 hrs (hours) Experimental Results: Inhibition of 5-Furd-induced increase in ATAD5 protein levels. |
| References |
[1]. Discovery of ML367, inhibitor of ATAD5 stabilization. Probe Reports from the NIH Molecular Libraries Program. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 125 mg/mL (~373.89 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.22 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 20.8 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: 2.08 mg/mL (6.22 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (6.22 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 20.8 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 | 2.9911 mL | 14.9557 mL | 29.9115 mL | |
| 5 mM | 0.5982 mL | 2.9911 mL | 5.9823 mL | |
| 10 mM | 0.2991 mL | 1.4956 mL | 2.9911 mL |