| Bioactivity | ATR-IN-20 is a potent ATR (ATM/ATR) inhibitor with an IC50 of 3 nM. ATR-IN-20 possess an inhibitory effect on mTOR (IC50 of 18 nM) while displaying good selectivity against PI3Kα (100 nM), ATM (100 nM), and DNA-PK (662 nM). ATR-IN-20 exhibits excellent pharmacokinetic profile (F = 30%), and has anticancer effects[1]. |
| Invitro | ATR-IN-20 (compound 48f; 0.03-3 μM; 24 hours) significantly inhibits migrating in a concentration-dependent manner in LoVo cells[1].ATR-IN-20 (compound 48f) displays strong monotherapy efficacy in ATM kinase-deficient tumor cells LoVo, SW620, OVCAR-3 cell lines with IC50 values of 0.040 μM, 0.095 μM, 0.098 μM, respectively[1]. ATR-IN-20 (compound 48f; 0.03-3 μM) decreases the colony-forming ability in a dose-dependent manner in LoVo cells[1].ATR-IN-20 (compound 48f) shows no significant inhibition against CYP1A2, CYP2C9, and CYP2D6. However, ATR-IN-20 exhibits a weak inhibitory potency against CYP2C19 and CYP3A4 with IC50 values of 1 μM[1]. Cell Migration Assay [1] Cell Line: |
| In Vivo | ATR-IN-20 (compound 48f) shows a favorable pharmacokinetic profile with a bioavailability of 30.0% in SD rats, acceptable plasma protein binding (PPB), high permeability, and low risk of drug-drug interactions[1].Mean values of pharmacokinetic parameters of ATR-IN-20 (compound 48f) after an i.v. at 1 mg/kg in Sprague-Dawley Rats[1]. Parameters |
| Name | ATR-IN-20 |
| Formula | C29H31N5O4S |
| Molar Mass | 545.65 |
| Transport | Room temperature in continental US; may vary elsewhere. |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Reference | [1]. Yinliang Qi, et al. Discovery of novel 7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidines as ATR inhibitors based on structure-based drug design. Eur J Med Chem. 2022 Nov 26;246:114945. |