| Identification | Back Directory | [Name]
N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-1-[[2-[[2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]acetyl]amino]ethyl]sulfonyl]-4-piperidinecarboxamide | [CAS]
2809353-52-2 | [Synonyms]
LL-K9-3
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-1-[2-(2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetamido)ethanesulfonyl]piperidine-4-carboxamide
N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-1-[[2-[[2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]acetyl]amino]ethyl]sulfonyl]-4-piperidinecarboxamide | [Molecular Formula]
C31H49N5O6S3 | [MOL File]
2809353-52-2.mol | [Molecular Weight]
683.95 |
| Chemical Properties | Back Directory | [density ]
1.28±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted) | [storage temp. ]
-10 to -25°C | [solubility ]
DMSO: 2mg/mL, clear | [form ]
powder | [pka]
7.86±0.70(Predicted) | [color ]
white to beige |
| Hazard Information | Back Directory | [Uses]
LL-K9-3 is a potent small-molecule degrader of CDK9-cyclin T1. LL-K9-3 has anti-proliferative and pro-apoptotic activities and suppresses downstream signaling of CDK9 and AR. Moreover, LL-K9-3 inhibits AR and Myc-driven oncogenic transcriptional programs[1]. | [Biological Activity]
Potent and selective CDK9-cyclin T1 complex degrader with stronger inhibition than THAL-SNS-032 against oncogenic transcription driven by Myc and AR.
LL-K9-3 is a potent and selective CDK9-cyclin T1 complex degrader (CDK9/CycT1 DC50 = 662/589 nM post 24h treatment22RV1 cells) with little potency toward other CDKs (124-7) or cyclins (E1HT2). LL-K9-3 exhibits higher antiproliferation activity than SNS-032 against 22RV1 prostate carcinoma cell (IC50 = 95 vs. 384 nM post 5-day treatment). Comparing to SNS-032 and THAL-SNS-032LL-K9-3 shows stronger inhibition against oncogenic transcription driven by Myc and ARas well as on several AR intrinsic target genes. | [References]
[1] Li J, et al. Discovery of Small-Molecule Degraders of the CDK9-Cyclin T1 Complex for Targeting Transcriptional Addiction in Prostate Cancer. J Med Chem. 2022 Aug 25;65(16):11034-11057. DOI:10.1021/acs.jmedchem.2c00257 |
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| Company Name: |
Merck KGaA
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| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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