Physicochemical Properties
| Molecular Formula | C17H15N5 |
| Molecular Weight | 289.334502458572 |
| Exact Mass | 289.13 |
| Elemental Analysis | C, 70.57; H, 5.23; N, 24.20 |
| CAS # | 1033767-86-0 |
| Related CAS # | 1033767-86-0 |
| PubChem CID | 24959105 |
| Appearance | White to light yellow solid powder |
| LogP | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 22 |
| Complexity | 603 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QKVFMAAIXZONRN-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C17H15N5/c1-9-14(7-18)17(15(8-19)10(2)20-9)12-4-5-16-13(6-12)11(3)21-22-16/h4-6,17,20H,1-3H3,(H,21,22) |
| Chemical Name | 2,6-dimethyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile |
| Synonyms | BAY-474; BAY 474; BAY474 |
| 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 | c-Met |
| References |
[1]. Donated chemical probes for open science. Elife. 2018 Apr 20;7. pii: e34311. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 58~125 mg/mL (200.5~432.0 mM) Ethanol: ~4 mg/mL (~13.8 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.19 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 20.8 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: 2.08 mg/mL (7.19 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (7.19 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 20.8 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 | 3.4563 mL | 17.2813 mL | 34.5626 mL | |
| 5 mM | 0.6913 mL | 3.4563 mL | 6.9125 mL | |
| 10 mM | 0.3456 mL | 1.7281 mL | 3.4563 mL |