Physicochemical Properties
| Molecular Formula | C14H12N2O3 |
| Molecular Weight | 256.261 |
| Exact Mass | 256.085 |
| Elemental Analysis | C, 65.62; H, 4.72; N, 10.93; O, 18.73 |
| CAS # | 6336-34-1 |
| PubChem CID | 236501 |
| Appearance | White to off-white solid powder |
| Density | 1.298g/cm3 |
| Boiling Point | 488.8ºC at 760 mmHg |
| Flash Point | 257.9ºC |
| Index of Refraction | 1.633 |
| LogP | 3.077 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 19 |
| Complexity | 298 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1=CC(=CC=C1C(=O)N)OC2=CC=C(C=C2)C(=O)N |
| InChi Key | XZRCQWLPMXFGHE-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18) |
| Chemical Name | 4-(4-carbamoylphenoxy)benzamide |
| Synonyms | OUL-35 OUL 35 OUL35 |
| 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 | OuL35 purifies cells sensitive to combined DNA damage and saves HeLa cells from ARTD10-induced cell death. OuL35 (3 μM) in U2OS cells and endogenous ARTD10 [1]. ARTD8 (23.4 μM), ARTD4 (22.6 μM), and ARTD15 (4.17 μM) are also moderately inhibited by OuL35 [1]. OuL35 establishes hydrogen bonds with Gly888's amide and lacquer groups as well as Ser927's side chain support. In the crystal structure, the OuL35 moiety relays 3AB and is located between Tyr919 and Tyr932 [1]. |
| References |
[1]. Small-Molecule Chemical Probe Rescues Cells from Mono-ADP-Ribosyltransferase ARTD10/PARP10-Induced Apoptosis and Sensitizes Cancer Cells to DNA Damage. Cell Chem Biol. 2016 Oct 20;23(10):1251-1260. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~83.33 mg/mL (~325.18 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.12 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 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 2: ≥ 2.08 mg/mL (8.12 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 | 3.9023 mL | 19.5114 mL | 39.0229 mL | |
| 5 mM | 0.7805 mL | 3.9023 mL | 7.8046 mL | |
| 10 mM | 0.3902 mL | 1.9511 mL | 3.9023 mL |