Physicochemical Properties
| Molecular Formula | C19H19CLF2N4O3S |
| Molecular Weight | 456.89 |
| Exact Mass | 456.083 |
| CAS # | 2573781-75-4 |
| PubChem CID | 155434855 |
| Appearance | White to off-white solid powder |
| LogP | 3.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 30 |
| Complexity | 751 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1(=CC=C2C(=C1C)C(N(C=N2)C)=O)NC1C(F)=CC=C(C=1Cl)NS(=O)(=O)CCCF |
| InChi Key | VVLVISDSGRHLMB-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H19ClF2N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21/h4-7,10,24-25H,3,8-9H2,1-2H3 |
| Chemical Name | N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide |
| 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
| References |
[1]. Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders. WO2020261156A1. |
| Additional Infomation |
Tinlorafenib (PF-07284890) is a potent, selective, highly brain-penetrant, small-molecule inhibitor of BRAF V600 mutations. Tinlorafenib is an inhibitor of the BRAF (B-raf) protein, with potential antineoplastic activity. Upon administration, tinlorafenib selectively targets, binds to and inhibits the activity of BRAF, which may inhibit the proliferation of tumor cells expressing a mutated BRAF gene. BRAF, a serine/threonine protein kinase, plays a key role in regulating the MAP kinase/ERKs signaling pathway, which may be constitutively activated due to BRAF gene mutations. Tinlorafenib may penetrate the blood-brain-barrier (BBB). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~273.59 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.55 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 (4.55 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 3: ≥ 2.08 mg/mL (4.55 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 | 2.1887 mL | 10.9436 mL | 21.8871 mL | |
| 5 mM | 0.4377 mL | 2.1887 mL | 4.3774 mL | |
| 10 mM | 0.2189 mL | 1.0944 mL | 2.1887 mL |