ATR-IN-20 

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].

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].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

545.65

C₂₉H₃₁N₅O₄S

3012609-63-8

O=C(N1C(C)(C)C2=NC(C3=CC=CC4=C3C=CN4)=NC(N5[C@H](C)COCC5)=C2C1)C6=CC=CC(S(=O)(C)=O)=C6

Room temperature in continental US; may vary elsewhere.

Please store the product under the recommended conditions in the Certificate of Analysis.

• [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.  [Content Brief]