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Chemical structure of Bobcat339 hydrochloride

GC34498

Bobcat339 hydrochloride

Also known as 4-amino-5-chloro-1-(3-phenylphenyl)pyrimidin-2-one;hydrochloride

Bobcat339 hydrochloride is a potent and selective cytosine-based inhibitor of TET enzyme, with the IC50s of 33 μM and 73 μM for TET1 and TET2, respectively· Bobcat339 hydrochloride is useful to the field of epigenetics and serves as a starting point for new therapeutics that target DNA methylation and gene transcription

ChemicalCAS2436747-44-1MW334.2FormulaC16H13Cl2N3O
CAS number
2436747-44-1
Molecular weight
334.2
Formula
C16H13Cl2N3O
Solubility
DMSO ： 130 mg/mL (388·99 mM)
InChIKey
ZOMPKMMOPYMRIB-UHFFFAOYSA-N
Catalogue number
GC34498
Brand
GLPBIO
Computed properties PubChem CID 138319672 · TPSA 58.7 Ų · H-bond donors 2 · H-bond acceptors 1
TPSA
58.7 Ų
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
22

SMILES C1=CC=C(C=C1)C2=CC(=CC=C2)N3C=C(C(=NC3=O)N)Cl.Cl

Computed descriptors from PubChem (CID 138319672), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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