Physicochemical Properties
| Molecular Formula | C23H32FN5O2SI |
| Molecular Weight | 457.62 |
| Exact Mass | 457.23 |
| CAS # | 2055741-39-2 |
| PubChem CID | 140882977 |
| Appearance | Typically exists as solid at room temperature |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 32 |
| Complexity | 753 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | FYIUNJAFLWNBAI-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H32FN5O2Si/c1-14-8-9-15(24)12-17(14)25-21(31)29-13-16-18(22(29,2)3)27-28-19(16)26-20(30)23(10-7-11-23)32(4,5)6/h8-9,12H,7,10-11,13H2,1-6H3,(H,25,31)(H2,26,27,28,30) |
| Chemical Name | N-(5-fluoro-2-methylphenyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide |
| 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 | CDK7 ≤50 nM (Ki) CDK2 ≥1000 nM (Ki) |
| ln Vitro | On CDK2 (Ki≥1000 nM) or PLK1 (Ki≥5000 nM), IV-361 exhibits reduced inhibition[1]. Excellent IL-2 and IL-17 production inhibitory activity (all IC50≤100 nM) is demonstrated by IV-361 in peripheral blood mononuclear cells (PBMC)[1]. Excellent HCT-116 cell growth inhibitory action is demonstrated by IV-361 (GI50≤100 nM)[1]. |
| ln Vivo | Orally administered IV-361 (25 mg/kg/day) suppresses tumor volume in female BALB nude mice with HCT-116 at a rate of at least 46%[1]. |
| References | [1]. Noriaki Iwase, et al. Substituted dihydropyrrolopyrazole derivative. US20190256531A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : 90 mg/mL (196.67 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.25 mg/mL (4.92 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 22.5 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: ≥ 2.25 mg/mL (4.92 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 22.5 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 | 2.1852 mL | 10.9261 mL | 21.8522 mL | |
| 5 mM | 0.4370 mL | 2.1852 mL | 4.3704 mL | |
| 10 mM | 0.2185 mL | 1.0926 mL | 2.1852 mL |