| Identification | Back Directory | [Name]
N-(5-chloropyridin-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide | [CAS]
296771-07-8 | [Synonyms]
dCeMM2
N-(5-chloropyridin-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide | [Molecular Formula]
C16H11ClN6OS | [MOL File]
296771-07-8.mol | [Molecular Weight]
370.816 |
| Chemical Properties | Back Directory | [density ]
1.60±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
Soluble to 50 mM in DMSO | [form ]
Solid | [pka]
10.25±0.50(Predicted) | [color ]
Light yellow to yellow | [InChI]
1S/C16H11ClN6OS/c17-9-5-6-12(18-7-9)20-13(24)8-25-16-21-15-14(22-23-16)10-3-1-2-4-11(10)19-15/h1-7H,8H2,(H,18,20,24)(H,19,21,23) | [InChIKey]
VFWVTIHYVUKNGR-UHFFFAOYSA-N | [SMILES]
O=C(NC1=NC=C(Cl)C=C1)CSC2=NC3=C(C4=C(N3)C=CC=C4)N=N2 |
| Hazard Information | Back Directory | [Uses]
dCeMM2 (Compound 2) is a molecular glue-type degrader that targets cyclin K. dCeMM2 induces ubiquitination and degradation of cyclin K by prompting an interaction of CDK12-cyclin K with a CRL4B ligase complex[1][2][3]. | [Biological Activity]
dCeMM2 is a molecular glue degrader. Induces ubiquitination and degradation of cyclin K by eliciting an interaction of CDK12-cyclin K with a CRL4B ligase complex. dCeMM2 displays near-total degradation of protein at 2.5 μM within 2h. Cell-permeable. | [storage]
Store at -20°C | [References]
[1] Mayor-Ruiz C, et al. Rational discovery of molecular glue degraders via scalable chemical profiling [published correction appears in Nat Chem Biol. 2021 Mar;17(3):361]. Nat Chem Biol. 2020;16(11):1199-1207. DOI:10.1038/s41589-020-0594-x
[2] Jochem M, et al. Degradome analysis to identify direct protein substrates of small-molecule degraders[J]. bioRxiv, 2024: 2024.01. 28.577572.
[3] Dong G, et al. Molecular Glues for Targeted Protein Degradation: From Serendipity to Rational Discovery. J Med Chem. 2021 Aug 12;64(15):10606-10620. DOI:10.1021/acs.jmedchem.1c00895 |
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