WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555567
CAS#: Unknown (HCl)
Description: Bobcat339 is a novel cytosine-based TET enzyme inhibitor with IC50 of 33 uM (TET1) and 73 uM (TET2). Bobcat339 has mid-μM inhibitor activity against TET1 and TET2, but does not inhibit the DNA methyltransferase, DNMT3a. These new molecular tools will be useful to the field of epigenetics and serve as a starting point for new therapeutics that target DNA methylation and gene transcription.
MedKoo Cat#: 555567
Name: Bobcat339 HCl
CAS#: Unknown (HCl)
Chemical Formula: C16H13Cl2N3O
Molecular Weight: 334.2
Elemental Analysis: C, 57.50; H, 3.92; Cl, 21.21; N, 12.57; O, 4.79
Related CAS #: 2280037-51-4 (free base)
Synonym: Bobcat339; Bobcat-339; Bobcat 339; Bobcat339 HCl; Bobcat339 hydrochloride
IUPAC/Chemical Name: 1-([1,1'-biphenyl]-3-yl)-4-amino-5-chloropyrimidin-2(1H)-one hydrochloride
InChi Key: ZOMPKMMOPYMRIB-UHFFFAOYSA-N
InChi Code: InChI=1S/C16H12ClN3O.ClH/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);1H
SMILES Code: O=C1N=C(N)C(Cl)=CN1C2=CC(C3=CC=CC=C3)=CC=C2.[H]Cl
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 334.2 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Chua GNL, Wassarman KL, Sun H, Alp JA, Jarczyk EI, Kuzio NJ, Bennett MJ, Malachowsky BG, Kruse M, Kennedy AJ. Cytosine-Based TET Enzyme Inhibitors. ACS Med Chem Lett. 2019 Jan 31;10(2):180-185. doi: 10.1021/acsmedchemlett.8b00474.eCollection 2019 Feb 14. PubMed PMID: 30783500; PubMed Central PMCID: PMC6378777.