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52601-58-8

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52601-58-8 Structure

52601-58-8 Structure
IdentificationBack Directory
[Name]

NSC54911
[CAS]

52601-58-8
[Synonyms]

NSC54911
CYP1B1-IN-7
3-(4-Chlorophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one
2-Propen-1-one, 3-(4-chlorophenyl)-1-(2-naphthalenyl)-
[Molecular Formula]

C19H13ClO
[MOL File]

52601-58-8.mol
[Molecular Weight]

292.76
Chemical PropertiesBack Directory
[Melting point ]

162-164 °C(Solv: ethanol (64-17-5))
[Boiling point ]

472.3±37.0 °C(Predicted)
[density ]

1.241±0.06 g/cm3(Predicted)
[form ]

Solid
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

CYP1B1-IN-7 (compound 2a) is a selective inhibitor of CYP1B1 (IC50: 75 nM). CYP1B1-IN-7 also reverses resistance (IC50: 29 μM) and exhibits cytotoxicity in the CYP1B1-overexpressing MCF-7 cell line that is resistant to Docetaxel (HY-B0011)[1].
[References]

[1] Raju B, et al. Scaffold hopping for designing of potent and selective CYP1B1 inhibitors to overcome docetaxel resistance: synthesis and evaluation. J Biomol Struct Dyn. 2024 Feb 14:1-19. DOI:10.1080/07391102.2024.2310770
Spectrum DetailBack Directory
[Spectrum Detail]

NSC54911(52601-58-8)1HNMR
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