ALDH3A1-IN-1

• CAT Number: I043711
• CAS Number: 1039855-56-5
• Molecular Formula: C13H18N2O3
• Molecular Weight: 250.29
• Purity: ≥95%
• Synonyms: 4-(dipropylamino)-3-nitrobenzaldehyde
• InChI: InChI=1S/C13H18N2O3/c1-3-7-14(8-4-2)12-6-5-11(10-16)9-13(12)15(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3
• InChIKey: KXSYGLGCBFMYGY-UHFFFAOYSA-N
• SMILES: CCCN(CCC)C1=C(C=C(C=C1)C=O)[N+](=O)[O-]

ALDH3A1-IN-1 (Compound 18) is a potent inhibitor of ALDH3A1 with an IC50 of 1.61 μM. ALDH3A1-IN-1 is more potent than DEAB against patient-derived primary prostate tumor epithelial cells, as single agents or in combination research with docetaxel[1].

Reference

[1]. Ibrahim AIM, et al. Expansion of the 4-(Diethylamino)benzaldehyde Scaffold to Explore the Impact on Aldehyde Dehydrogenase Activity and Antiproliferative Activity in Prostate Cancer. J Med Chem. 2022 Mar 10;65(5):3833-3848.
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