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ChemicalBook--->CAS DataBase List--->2231079-74-4

2231079-74-4

2231079-74-4 Structure

2231079-74-4 Structure
IdentificationBack Directory
[Name]

NCT-505
[CAS]

2231079-74-4
[Synonyms]

NCT-505 free base
1-(6-Fluoro-3-(4-(methylsulfonyl)piperazine-1-carbonyl)quinolin-4-yl)-4-phenylpiperidine-4-carbonitrile
4-Piperidinecarbonitrile, 1-[6-fluoro-3-[[4-(methylsulfonyl)-1-piperazinyl]carbonyl]-4-quinolinyl]-4-phenyl-
[Molecular Formula]

C27H28FN5O3S
[MDL Number]

MFCD31715429
[MOL File]

2231079-74-4.mol
[Molecular Weight]

521.61
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[color ]

White to off-white
Hazard InformationBack Directory
[Description]

NCT-505 is an Orally Bioavailable aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitor with Potent Cellular Activity (IC50 = 7 nM). NCT-505 demonstrated target engagement in a cellular thermal shift assay (CETSA), inhibited the formation of 3D spheroid cultures of OV-90 cancer cells, and potentiated the cytotoxicity of paclitaxel in SKOV-3-TR, a paclitaxel resistant ovarian cancer cell line. NCT-505 also exhibit high specificity over other ALDH isozymes and unrelated dehydrogenases.
[Uses]

NCT-505 is a potent and selective aldehyde dehydrogenase (ALDH1A1) inhibitor, with an IC50 of 7 nM, and weakly inhibits hALDH1A2, hALDH1A3, hALDH2, hALDH3A1 (IC50s, >57, 22.8, 20.1, >57 μM).
[IC 50]

ALDH1
[References]

[1] Yang SM, et al. Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. J Med Chem. 2018 Jun 14;61(11):4883-4903. DOI:10.1021/acs.jmedchem.8b00270
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