Physicochemical Properties
| Molecular Formula | C25H21FN4O3 |
| Molecular Weight | 444.46 |
| CAS # | 2991637-98-8 |
| Appearance | Solid powder |
| 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | PARP16 0.27 μM (IC50) |
| ln Vitro | DB008 (0-1 μM; 0-120 min; HEK 293T cells) covalently modifies Cys169 of PARP16 and exhibits excellent pan-proteome selectivity in an irreversible binding mode[1]. DB008 (100 nM; 16 h; HAP1 WT and HAP1 PARP16 KO cells) rescues nutrient starvation-induced loss of soluble PARP16[1]. |
| References |
[1]. Bejan DS, et, al. Structure-guided design and characterization of a clickable, covalent PARP16 inhibitor. Chem Sci. 2022 Nov 16;13(46):13898-13906. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (224.99 mM; with sonication) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (11.25 mM)(saturation unknown) in 10% DMSO 40% PEG300 5% Tween-80 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution This solution produces a clear solution of ≥ 5 mg/mL (saturation unknown). For example, if 1 mL of working solution, add 100 μL of 50.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix well; then add 50 μL Tween-80 to the above system and mix well; then add 450 μL saline to make up 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: ≥ 5 mg/mL (11.25 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 This protocol will produce a clear solution of ≥ 5 mg/mL (saturation unknown). . For example, if 1 mL of working solution, add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD in saline and mix well. *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: ≥ 5 mg/mL (11.25 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, add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL corn oil and mix well. Take μL of DMSO stock solution and add μL. μL, mix well until clear, add μL Tween 80, mix well until clear, and add μL normal saline. Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear and transparent normal saline solution. If the continuous administration period exceeds half a month, please choose this solution with caution. Please ensure that the first step stock solution is dissolved to a clear state, and add co-solvents from left to right. You can use ultrasonic heating (ultrasonic cleaning instrument, recommended frequency 20-40 kHz), vortex blowing and other methods to assist dissolution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2499 mL | 11.2496 mL | 22.4992 mL | |
| 5 mM | 0.4500 mL | 2.2499 mL | 4.4998 mL | |
| 10 mM | 0.2250 mL | 1.1250 mL | 2.2499 mL |