2491726-04-4
Chemical Structure
RET-IN-31
- CAS No.: 2491726-04-4
- Formula:C24H25FN10O
- Molecular Weight:488.52
InChIKey: BJGZYOBYHRNCMW-UHFFFAOYSA-N
SMILES: CC1=CC(NC2=CC(C)=NC(N3CC4N(C(C5=CN=C(N6N=CC(F)=C6)C=C5)=O)C(CC4)C3)=N2)=NN1
Biological Activity: RET-IN-31 (Compound 13) is an orally active, selective RET inhibitor (IC50s: 1.4 nM, 1.9 nM, 3.8 nM for RETWT, RETV804L, RETV804M, respectively). RET-IN-31 inhibits hERG and Cytochrome P450 (IC50s: 13.6 μM, 7.9 μM, 12.8 μM, 16.9 μM, 8.9 μM, 13.0 μM for CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4-M, CYP3A4-T, respectively). RET-IN-31 has anti-cancer effects against activated RET mutations and gene fusion-driven cancers[1].
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RET-IN-31 | RET-IN-31 (Compound 13) is an orally active, selective RET inhibitor (IC50s: 1.4 nM, 1.9 nM, 3.8 nM for RETWT, RETV804L, RETV804M, respectively). RET-IN-31 inhibits hERG and Cytochrome P450 (IC50s: 13.6 μM, 7.9 μM, 12.8 μM, 16.9 μM, 8.9 μM, 13.0 μM for CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4-M, CYP3A4-T, respectively). RET-IN-31 has anti-cancer effects against activated RET mutations and gene fusion-driven cancers. | |||||||||||||||||||||
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- [1]. Mohammed S, et al. Discovery of 2-(4-Ureido-piperidin-1-yl)-4-morpholinothieno [3,2-D] Pyrimidines as Orally Bioavailable Phosphoinositide-3-Kinase Inhibitors with In Vitro and In Vivo Antitumor Efficacy in Triple-Negative Breast Cancer. J Med Chem. 2025 Oct 23;68(20):21282-21317. [Content Brief]
Keywords
