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NCT-505 structure, CAS 2231079-74-4

NCT-505

CAS Number2231079-74-4

Synonyms

Molecular FormulaC27H28O3N5S1F1

Molecular Weight521.62

Purity

Density

Boiling Point

Melting Point

Flash Point

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Cat. No.: 2A-2182269 Purity:
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Quality Control of [ 2231079-74-4 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number2231079-74-4
Catalog No.2A-2182269
Chinese NameNCT-505
Molecular FormulaC27H28O3N5S1F1
Molecular Weight521.62
ApplicationNCT-505 is a potent and selective inhibitor of aldehyde dehydrogenase (ALDH1A1) with an IC50 value of 7 nM. It has a weak inhibitory effect on hALDH1A2, hALDH1A3, hALDH2, and hALDH3A1, with IC50 value
PubChem ID225147139
MDL NumberMFCD31715429
SMILESCS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC(C#N)(c3ccccc3)CC2)CC1
InChIInChI=1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3
InChI KeyXMNLWOQHMQRHDV-UHFFFAOYSA-N
Transport InfoProduct name: NCT-505
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