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Bobcat339

CAT: 0804-HY-111558-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-111558-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
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].
CAS Number
2280037-51-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
DNA Methyltransferase; TET Protein
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bobcat339.html
Purity
99.44
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC1=NC(N(C2=CC=CC(C3=CC=CC=C3)=C2)C=C1Cl)=O
Molecular Formula
C16H12ClN3O
Molecular Weight
297.74
Precautions
H302, H315, H319, H335
References & Citations
[1]Chua GNL, et, al. Cytosine-Based TET Enzyme Inhibitors. ACS Med Chem Lett. 2019 Jan 31; 10 (2) : 180-185.|[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.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
TET1; TET2
Citation 01
Aquaculture. 2023: 739234.|Br J Pharmacol. 2024 Oct;181 (20) :3886-3907.|Brain Sci. 2023 Apr 10;13 (4) :644.|EMBO Mol Med. 2025 Oct;17 (10) :2809-2826.|Eur J Pharmacol. 2024 Aug 23:176931.|J Exp Clin Cancer Res. 2025 Jul 15;44 (1) :206.|Research Square Print. 2023 Mar 14.|Research Square Print. November 29th, 2022.|Bioelectrochemistry. 2023 Aug:152:108433.|Cancers (Basel) . 2022 Jun 16;14 (12) :2983.|Cell Death Dis. 2024 Jun 1;15 (6) :387.|Clin Epigenetics. 2024 Oct 2;16 (1) :136.|Clin Sci. 2023 Aug 31;137 (16) :1265-1283.|Environ Sci Technol. 2021 Mar 2;55 (5) :3144-3155.|J Clin Invest. 2023 Oct 16;133 (20) :e170173.|J Pharm Biomed Anal. 2021 Sep 5:203:114228.|Mol Pain. 2022 Apr;18:17448069221143671.|Nat Metab. 2025 Jul;7 (7) :1344-1357.|Neuropharmacology. 2024 Feb 15:244:109799.|Sci Total Environ. 2024 Apr 1:919:170905.|Theranostics. 2021 Jun 11;11 (16) :7640-7657.

Chemical Information

Bobcat339
CAS Number2280037-51-4
PubChem CID138319673
IUPAC Name4-amino-5-chloro-1-(3-phenylphenyl)pyrimidin-2-one
Molecular FormulaC16H12ClN3O
Molecular Weight297.74
XLogP2.9
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity468
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C=C(C(=NC3=O)N)Cl
InChI
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
Chemical Structure
2D Structure
2D structure of Bobcat339
CAS: 2280037-51-4
CID: 138319673
Formula: C16H12ClN3O
MW: 297.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.74
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass297.0668897
Monoisotopic Mass297.0668897
Topological Polar Surface Area58.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4643-25Bobcat339
MBS5803725Bobcat339 hydrochloride
555567Bobcat339 HCl

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