Bobcat339 HCl

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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.

Chemical Structure

Bobcat339 HCl
CAS# Unknown (HCl)

Theoretical Analysis

MedKoo Cat#: 555567
Name: Bobcat339 HCl
CAS#: Unknown (HCl)
Chemical Formula: C16H13Cl2N3O
Exact Mass:
Molecular Weight: 334.2
Elemental Analysis: C, 57.50; H, 3.92; Cl, 21.21; N, 12.57; O, 4.79

Price and Availability

Size Price Availability Quantity
50.0mg USD 450.0 2 Weeks
100.0mg USD 750.0 2 Weeks
200.0mg USD 1150.0 2 Weeks
500.0mg USD 1950.0 2 Weeks
1.0g USD 2950.0 2 Weeks
2.0g USD 4650.0 2 Weeks
5.0g USD 7450.0 2 Weeks
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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 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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.