Physicochemical Properties
| Molecular Formula | C27H31N3O4 |
| Molecular Weight | 461.552747011185 |
| Exact Mass | 461.231 |
| CAS # | 2304416-91-7 |
| PubChem CID | 142545683 |
| Appearance | White to off-white solid powder |
| LogP | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 34 |
| Complexity | 741 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | OC([C@H]1CCC[C@@H](C1)N1C(CC2C=CC=CC=2)=NC2=C3C(=CC=C12)N(C(=O)OC)[C@@H](C)CC3)=O |
| InChi Key | ABNLUJMIBRFYRV-IHPCNDPISA-N |
| InChi Code | InChI=1S/C27H31N3O4/c1-17-11-12-21-22(29(17)27(33)34-2)13-14-23-25(21)28-24(15-18-7-4-3-5-8-18)30(23)20-10-6-9-19(16-20)26(31)32/h3-5,7-8,13-14,17,19-20H,6,9-12,15-16H2,1-2H3,(H,31,32)/t17-,19-,20-/m0/s1 |
| Chemical Name | (1S,3S)-3-[(7S)-2-benzyl-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic 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 |
| 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 | CBP 0.01-0.1 μM (IC50) BRD4 1-1000 μM (IC50) |
| References |
[1]. Tetrahydro-imidazo quinoline compositions as cbp/p300 inhibitors. WO2019055877A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : 200 mg/mL (433.32 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (10.83 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 50.0 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 | 2.1666 mL | 10.8331 mL | 21.6661 mL | |
| 5 mM | 0.4333 mL | 2.1666 mL | 4.3332 mL | |
| 10 mM | 0.2167 mL | 1.0833 mL | 2.1666 mL |