Physicochemical Properties
| Molecular Formula | C27H32N6O |
| Molecular Weight | 456.582585334778 |
| Exact Mass | 456.263 |
| CAS # | 2919575-27-0 |
| PubChem CID | 166451134 |
| Appearance | White to off-white solid powder |
| LogP | 4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 34 |
| Complexity | 660 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C(=O)(N1C2=C(C=CC=C2NC2C=CN=C(NC3=CC=C(N4CCN(CC)CC4)C=C3)C=2)CC1)C |
| InChi Key | RPOHONUDGBSZDK-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C27H32N6O/c1-3-31-15-17-32(18-16-31)24-9-7-22(8-10-24)30-26-19-23(11-13-28-26)29-25-6-4-5-21-12-14-33(20(2)34)27(21)25/h4-11,13,19H,3,12,14-18H2,1-2H3,(H2,28,29,30) |
| Chemical Name | 1-[7-[[2-[4-(4-ethylpiperazin-1-yl)anilino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone |
| 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
| References |
[1]. A small-molecule PI3Kα activator for cardioprotection and neuroregeneration. Nature. 2023 Jun;618(7963):159-168. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (109.51 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.48 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. 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 (5.48 mM) 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; with ultrasonication. 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 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. Solubility in Formulation 3: 2.5 mg/mL (5.48 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. 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 | 2.1902 mL | 10.9510 mL | 21.9020 mL | |
| 5 mM | 0.4380 mL | 2.1902 mL | 4.3804 mL | |
| 10 mM | 0.2190 mL | 1.0951 mL | 2.1902 mL |