| Identification | Back Directory | [Name]
Bobcat339
(Bobcat 339) | [CAS]
2280037-51-4 | [Synonyms]
Bobcat399
Bobcat339
(Bobcat 339)
2(1H)-Pyrimidinone, 4-amino-1-[1,1'-biphenyl]-3-yl-5-chloro- | [EINECS(EC#)]
604-604-1 | [Molecular Formula]
C16H12ClN3O | [MDL Number]
MFCD32644557 | [MOL File]
2280037-51-4.mol | [Molecular Weight]
297.74 |
| Chemical Properties | Back Directory | [Boiling point ]
489.0±55.0 °C(Predicted) | [density ]
1.33±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 1 mg/ml,DMSO: 1 mg/ml,DMSO:PBS (pH 7.2) (1:8): 0.11 mg/ml | [form ]
A crystalline solid | [pka]
2.42±0.10(Predicted) | [color ]
Off-white to light yellow | [InChI]
1S/C16H12ClN3O/c17-14-10-20(16(21)19-15(14)18)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H,(H2,18,19,21) | [InChIKey]
QMGYGOOYCNTEQO-UHFFFAOYSA-N | [SMILES]
NC1=NC(N(C2=CC=CC(C3=CC=CC=C3)=C2)C=C1Cl)=O |
| Hazard Information | Back Directory | [Uses]
Bobcat339 is a potent and selective cytosine-based inhibitor of TET enzyme, with IC50s of 33 μM and 73 μM for TET1 and TET2, respectively. Bobcat339 is useful to the field of epigenetics and serves as a starting point for new therapeutics that target DNA methylation and gene transcription[1]. | [Biological Activity]
Bobcat339 is a cell penetrantpotent and selective inhibitor of TET1 and TET2 [Ten-eleven translocation methylcytosine dioxygenase (TET) 1 and 2] th at reduces content of 5-hydroxymethyl-cytosine (5hmC) in cultured neurons. Bobcat339 does not inhibit DNMT3a. | [IC 50]
TET1: 33 μM (IC50); TET2: 73 μM (IC50) | [storage]
Store at -20°C | [References]
[1] Chua GNL, et, al. Cytosine-Based TET Enzyme Inhibitors. ACS Med Chem Lett. 2019 Jan 31; 10(2): 180-185. DOI:10.1021/acsmedchemlett.8b00474
[2] Weirath NA, et al. Small Molecule Inhibitors of TET Dioxygenases: Bobcat339 Activity Is Mediated by Contaminating Copper(II). ACS Med Chem Lett. 2022 Apr 21;13(5):792-798. DOI:10.1021/acsmedchemlett.1c00677 |
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