(9R,12aR)-AZD4747

For research use only. Not for therapeutic Use.

  • CAT Number: I040107
  • Molecular Formula: C24H22ClFN2O3
  • Molecular Weight: 440.89
  • Purity: ≥95%
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(9R,12aR)-AZD4747 is a diastereomer of AZD4747 (HY-154959). AZD4747 is a selective mutant GTPase KRASG12C inhibitor with blood-brain barrier permeability. AZD4747 has the potential to study cancer[1].


Catalog Number I040107
Synonyms

1-[(4aR)-8-(2-chloro-6-hydroxyphenyl)-7-fluoro-9-prop-1-ynyl-1,2,4,4a,5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]prop-2-en-1-one

Molecular Formula C24H22ClFN2O3
Purity ≥95%
InChI InChI=1S/C24H22ClFN2O3/c1-3-6-15-11-16-12-27-9-10-28(20(30)4-2)13-17(27)14-31-24(16)23(26)21(15)22-18(25)7-5-8-19(22)29/h4-5,7-8,11,17,29H,2,9-10,12-14H2,1H3/t17-/m1/s1
InChIKey CNQOLVBNICGIJB-QGZVFWFLSA-N
SMILES CC#CC1=C(C(=C2C(=C1)CN3CCN(CC3CO2)C(=O)C=C)F)C4=C(C=CC=C4Cl)O
Reference

[1]. Kettle JG, et al. Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRASG12C with Demonstrable CNS Penetration. J Med Chem. 2023 Jul 13;66(13):9147-9160.
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