Physicochemical Properties
| Molecular Formula | C27H34F2N8O |
| Molecular Weight | 524.6087 |
| Exact Mass | 524.282 |
| CAS # | 2484741-78-6 |
| PubChem CID | 121373327 |
| Appearance | White to off-white solid powder |
| LogP | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 38 |
| Complexity | 831 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC([H])(C1=C(C2C([H])=NN(C([H])([H])[H])C=2[H])C([H])=C2C([H])([H])C([H])([H])C([H])([H])N(C2=C1[H])C1C2C([H])([H])N(C(N([H])C([H])([H])[H])=O)C([H])([H])C([H])([H])C=2N(C2([H])C([H])([H])C([H])([H])N([H])C([H])([H])C2([H])[H])N=1)F |
| InChi Key | XFGMGPKELLCGAA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C27H34F2N8O/c1-30-27(38)35-11-7-23-22(16-35)26(33-37(23)19-5-8-31-9-6-19)36-10-3-4-17-12-20(18-14-32-34(2)15-18)21(25(28)29)13-24(17)36/h12-15,19,25,31H,3-11,16H2,1-2H3,(H,30,38) |
| Chemical Name | 3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-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 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
| ln Vitro | LNCaP prostate cancer cells do not respond negatively to CBP/p300 ligand 2 (example 229) [1]. |
| References |
[1]. Cyclic-amp response element binding protein (cbp) and/or adenoviral e1a binding protein of 300 kda (p300) degradation compounds and methods of use. O2020173440A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~200 mg/mL (~381.24 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (9.53 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 50.0 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: ≥ 5 mg/mL (9.53 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 50.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9062 mL | 9.5309 mL | 19.0618 mL | |
| 5 mM | 0.3812 mL | 1.9062 mL | 3.8124 mL | |
| 10 mM | 0.1906 mL | 0.9531 mL | 1.9062 mL |