| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C36H32ClF6N5O4 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
KRAS G12D inhibitor 3 TFA is an inhibitor of KRAS G12D with an IC50 of less than 500 nM and has shown antitumor effects (WO2022002102A1; compound 146)[1]. As a click chemistry reagent, it carries an alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAC) with molecules bearing azide groups. It is supplied as a light yellow to yellow solid (C36H32ClF6N5O4, MW 748.11) at 98.18% purity.
Physical & Chemical Properties
| CAS Number | 2757095-12-6 |
|---|---|
| Molecular Formula | C36H32ClF6N5O4 |
| Molecular Weight | 748.11 g/mol |
| Purity | 98.18% |
| Appearance | Solid |
| Color | Light yellow to yellow |
| SMILES | C#CC1=C(C=CC2=C1C(C3=C(C4=C(C(N5CC6CCC(N6)C5)=NC(OC[C@@]78CCCN7C[C@@H](C8)F)=N4)C=C3Cl)F)=CC(O)=C2)F.OC(C(F)(F)F)=O |
| Target | KRas G12D |
| Signaling Pathway | GPCR/G Protein; MAPK/ERK Pathway |
| Solubility | In Vitro: DMSO: ≥ 100 mg/mL (133.67 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) * "≥" means soluble, but saturation unknown. |
| Storage | 4°C, sealed storage, away from moisture and light. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target
[1]
KRas G12D <500 nM (IC50)
Literature Cited
Sources cited in this description. Peer-reviewed publications that used this product are listed under References.
[1]. Xing DAI, et al. Quinazoline compounds, preparation methods and uses thereof. WO2022002102A1.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | ≥ 100 mg/mL (133.67 mM) | use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); sealed storage, away from moisture and light; avoid repeated freeze-thaw cycles.
Data provided by the manufacturer.
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