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(2S,3R)-N-(3-chloro-4-fluorophenyl)-1-(3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)-3-(hydroxymethyl)-N-(methyl-d3)azetidine-2-carboxamide

Antiproliferative agent-53-d3 (Compound C1) is an inhibitor for theta-mediated end joining (TMEJ) in HEK293 cell with an IC50 of 0.14 µM. Antiproliferative agent-53-d3 is the inhibitor for CYP2C19 and CYP2C9 with IC50 of 0.77 and 3.1 µM. Antiproliferative agent-53-d3 inhibits the proliferation of DNA repair-compromised cells, with IC50 of 8.1 µM for BRCA2-/- DLD-1. Antiproliferative agent-53-d3 exhibits good pharmacokinetic characteristics in CD-1 mice.

Cat. No.: EX-A9032S    Purity: >98%
Chemical
Chemical structure of (2S,3R)-N-(3-chloro-4-fluorophenyl)-1-(3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)-3-(hydroxymethyl)-N-(methyl-d3)azetidine-2-carboxamide


For research only, Do not use for Human!

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CAS No.2923508-77-2
Purity>98%
FormulaC20H17ClF4N4O2
Mol Weight459.84
StoragePlease store the product under the recommended conditions in the Certificate of Analysis.
ShippingShipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
 
 
Reference:  

[1]. Wang Y, et al., Discovery of 3-hydroxymethyl-azetidine derivatives as potent polymerase theta inhibitors. Bioorg Med Chem. 2024 Apr 1;103:117662.

CoACoA of (2S,3R)-N-(3-chloro-4-fluorophenyl)-1-(3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)-3-(hydroxymethyl)-N-(methyl-d3)azetidine-2-carboxamide
Smiles:C(N(C([2H])([2H])[2H])C1=CC(Cl)=C(F)C=C1)(=O)[C@H]2N(C[C@H]2CO)C3=C(C#N)C(C(F)(F)F)=CC(C)=N3

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