Povorcitinib phosphate (INCB-54707) is a novel and potent inhibitor of JAK1 with the potential for treating cutaneous lupus erythematosus (CLE) and Lichen planus (LP).
Physicochemical Properties
| Molecular Formula | C23H25F5N7O5P |
| Molecular Weight | 605.45 |
| Exact Mass | 605.157 |
| CAS # | 1637677-33-8 |
| Related CAS # | 1637677-22-5;1637677-33-8 (phosphate); |
| PubChem CID | 86280671 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 41 |
| Complexity | 909 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | P(O)(O)(O)=O.C(C1(N2N=CC(C3=C(NN=C3C)C)=C2)CN(C2C=C(F)C(C(=O)N[C@@H](C)C(F)(F)F)=CC=2F)C1)C#N |
| InChi Key | XUQIWHXYCLHHCN-UQKRIMTDSA-N |
| InChi Code | InChI=1S/C23H22F5N7O.H3O4P/c1-12-20(13(2)33-32-12)15-8-30-35(9-15)22(4-5-29)10-34(11-22)19-7-17(24)16(6-18(19)25)21(36)31-14(3)23(26,27)28;1-5(2,3)4/h6-9,14H,4,10-11H2,1-3H3,(H,31,36)(H,32,33);(H3,1,2,3,4)/t14-;/m0./s1 |
| Chemical Name | 4-[3-(cyanomethyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide;phosphoric acid |
| 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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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]. Use of jak1 inhibitors for the treatment of cutaneous lupus erythematosus and lichen planus (lp). Patent WO2021076124A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~165.17 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.44 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 (3.44 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 (3.44 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 | 1.6517 mL | 8.2583 mL | 16.5166 mL | |
| 5 mM | 0.3303 mL | 1.6517 mL | 3.3033 mL | |
| 10 mM | 0.1652 mL | 0.8258 mL | 1.6517 mL |