Physicochemical Properties
| Molecular Formula | C20H22N4O5S |
| Molecular Weight | 430.48 |
| Exact Mass | 430.131 |
| CAS # | 672926-32-8 |
| PubChem CID | 60076300 |
| Appearance | White to off-white solid powder |
| Density | 1.4±0.1 g/cm3 |
| Index of Refraction | 1.619 |
| LogP | 3.73 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 30 |
| Complexity | 703 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)[C@H](C(C)C)N2C(=O)C3=CC=CC=C3NC2=O)C |
| InChi Key | CTQQKICGMSZCJL-AWEZNQCLSA-N |
| InChi Code | InChI=1S/C20H22N4O5S/c1-5-29-18(27)15-11(4)21-19(30-15)23-16(25)14(10(2)3)24-17(26)12-8-6-7-9-13(12)22-20(24)28/h6-10,14H,5H2,1-4H3,(H,22,28)(H,21,23,25)/t14-/m0/s1 |
| Chemical Name | ethyl 2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate |
| Synonyms | KIF15-IN1; KIF15IN-1; KIF15-IN-1 |
| 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
| ln Vitro | Compound 10, or Kif15-IN-1, is a multiplex of the mitotic kinesin Hs Kif15 and may be effective in inhibiting the growth of cells in conditions including cancer, ischemia, heart hypertrophy, and immunological activation [1]. |
| References |
[1]. Preparation of quinazolinediones as Kif15 kinesin inhibitors for treating cellular proliferative disorders. Pat. Appl. Publ. (2004), US 20040053948 A1 20040318. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 100 mg/mL (~232.30 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.81 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 25.0 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: ≥ 2.5 mg/mL (5.81 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 25.0 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 | 2.3230 mL | 11.6149 mL | 23.2299 mL | |
| 5 mM | 0.4646 mL | 2.3230 mL | 4.6460 mL | |
| 10 mM | 0.2323 mL | 1.1615 mL | 2.3230 mL |