Physicochemical Properties
| Molecular Formula | C28H27CLF2N6O3 |
| Exact Mass | 568.18 |
| Elemental Analysis | C, 59.10; H, 4.78; Cl, 6.23; F, 6.68; N, 14.77; O, 8.44 |
| CAS # | 2436544-27-1 |
| Related CAS # | ARS-1323;1698024-73-5 |
| PubChem CID | 138454781 |
| Appearance | Off-white to light brown solid powder |
| LogP | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 40 |
| Complexity | 960 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | FCCFZQSNDSLLMI-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C28H27ClF2N6O3/c1-4-11-35(3)22(40)9-10-32-28-33-26-17(27(34-28)37-14-12-36(13-15-37)21(39)5-2)16-18(29)23(25(26)31)24-19(30)7-6-8-20(24)38/h1,5-8,16,38H,2,9-15H2,3H3,(H,32,33,34) |
| Chemical Name | 3-[[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N-methyl-N-prop-2-ynylpropanamide |
| Synonyms | ARS1323-Alkyne; ARS-1323 Alkyne; ARS 1323-Alkyne; ARS-1323-Alkyne |
| 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. |
| 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 | KRAS(G12C) |
| References |
[1]. KRASG12C inhibition produces a driver-limited state revealing collateral dependencies. Sci Signal. 2019 May 28;12(583). pii: eaaw9450. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~250 mg/mL (~439.4 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.66 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 (3.66 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.) |