UCB9608 is a Potent, orally Bioavailable PI4KIIIβ Inhibitor. The pharmacokinetic profile of UCB9608 was excellent with improved metabolic stability. The HuMLR response is inhibited by UCB9608, an 11 nM PI4KIIIβ inhibitor, with an IC50 value of 37 nM. It is the perfect compound for use in the future as an in vitro and in vivo probe to clarify the emerging role of PI4KIIIβ inhibition in immune processes due to its potency and excellent ADME properties.
Physicochemical Properties
| Molecular Formula | C20H26N8O2 |
| Molecular Weight | 410.4728 |
| Exact Mass | 410.217 |
| Elemental Analysis | C, 58.52; H, 6.38; N, 27.30; O, 7.80 |
| CAS # | 1616413-96-7 |
| Related CAS # | 1616413-96-7 |
| PubChem CID | 76282073 |
| Appearance | White to off-white solid powder |
| LogP | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 30 |
| Complexity | 609 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C[C@H]1CN(CCN1C2=NC(=NC3=C2C=NN3C)N)C(=O)NC4=C(C=C(C=C4)OC)C |
| InChi Key | WRONAJQPZWDYAR-ZDUSSCGKSA-N |
| InChi Code | InChI=1S/C20H26N8O2/c1-12-9-14(30-4)5-6-16(12)23-20(29)27-7-8-28(13(2)11-27)18-15-10-22-26(3)17(15)24-19(21)25-18/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,23,29)(H2,21,24,25)/t13-/m0/s1 |
| Chemical Name | (3S)-4-(6-amino-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide |
| Synonyms | UCB9608; UCB 9608; UCB-9608 |
| 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
| Targets | PI4KIIIβ (IC50 = 11 nM) |
| ln Vitro | UCB9608 is a potent, selective and orally active PI4KIIIβ inhibitor, with an IC50 of 11 nM. UCB9608 is selective for PI4KIIIβ over PI3KC2 α, β, and γ lipid kinases[1]. UCB9608 inhibits human mixed lymphocyte reaction, the IC50 is 37 nM[1]. |
| References |
[1]. Discovery of a Potent, Orally Bioavailable PI4KIIIβ Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo. J Med Chem. 2018 Aug 9;61(15):6705-6723. |
Solubility Data
| Solubility (In Vitro) | DMSO: 65~82 mg/mL (158.4~199.8 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.07 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 (5.07 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 (5.07 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 | 2.4362 mL | 12.1812 mL | 24.3623 mL | |
| 5 mM | 0.4872 mL | 2.4362 mL | 4.8725 mL | |
| 10 mM | 0.2436 mL | 1.2181 mL | 2.4362 mL |