| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C19H22N8O |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
ATR-IN-29 is a potent, orally active inhibitor of ATR kinase, with an IC50 value of 1 nM, and it shows antiproliferative activity[1]. It has the molecular formula C19H22N8O and a molecular weight of 378.43 g/mol.
Physical & Chemical Properties
| CAS Number | 2761193-67-1 |
|---|---|
| Molecular Formula | C19H22N8O |
| Molecular Weight | 378.43 g/mol |
| SMILES | CC1=C2N(N=C(N3[C@@H](COCC3)C)C=C2C4=CC=NN4C)C(C5=NNC=C5)=N1 |
| Target | ATR |
| Signaling Pathway | Cell Cycle/DNA Damage; PI3K/Akt/mTOR |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
ATR 1 nM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
[1]. Sui Xiong Cai, et al. Substituted imidazo[1,5-b]pyridazine compounds as kinase inhibitors and use thereof. WO2022135560A1.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
In Vitro
ATR-IN-29 (4 days) has antiproliferative activity, with IC50s of 156.70 nM (A549), 38.81 nM (HCC1806), 22.48 nM (HCT116), 181.60 nM (OVCAR-3), and 19.02 nM (NCI-H460)[1].
In Vivo
In CD-1 (ICR) mice, ATR-IN-29 (10 mg/kg; p.o.; once) has good pharmacokinetic parameters (t1/2 1.64 h; Cmax 9343 ng/mL; AUC0-t 98507 ng·h/mL; AUC0-inf 98517 ng·h/mL)[1].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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