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Bobcat339

CAT: 0931-T5198-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T5198-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2280037-51-4
Target
DNA Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.9967
Bioactivity
Bobcat339 is a novel cytosine-based TET enzyme inhibitor (IC50s: 33/73 uM for TET1/2), but not DNMT3a, does not inhibit the DNA methyltransferase DNMT3a.
Smiles
Nc1nc(=O)n(cc1Cl)-c1cccc(c1)-c1ccccc1
Molecular Formula
C16H12ClN3O
Molecular Weight
297.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
HY-111558A-01Bobcat339 (hydrochloride)

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