Bobcat339 - Moligand™, ≥98% , CAS No.2280037-51-4

CAS: 2280037-51-4 Cat. No.: B413583 Molecular Weight: 297.74

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-Amino-1-[1,1'-biphenyl]-3-yl-5-chloro-2(1H)-pyrimidinone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

Synonyms

4-Amino-1-[1, 1'-biphenyl]-3-yl-5-chloro-2(1H)-pyrimidinone

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Bobcat339 is a selective cytosine-based inhibitor of ten-eleven translocation methylcytosine dioxygenase (TET) (IC50 values are 33 and 73 μM for TET1 and TET2, respectively). Bobcat339 reduces DNA 5-hydroxymethylcytosine (5hmC) levels in cells without inh

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=CC(=CC=C2)N3C=C(C(=NC3=O)N)Cl
• IUPAC Name: 4-amino-5-chloro-1-(3-phenylphenyl)pyrimidin-2-one
• InChIKey: QMGYGOOYCNTEQO-UHFFFAOYSA-N
• 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)
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)N3C=C(C(=NC3=O)N)Cl
• Molecular Weight: 297.74
• Reaxy-Rn: 34167418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34167418&ln=

Associated Targets(Human)

DNMT3A Tclin DNA (cytosine-5)-methyltransferase 3A (310 Activities)

Discover Target: DNMT3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TET2 Tchem Methylcytosine dioxygenase TET2 (57 Activities)

Discover Target: TET2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO: 2 mg/mL, clear
• Molecular Weight: 297.740 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 297.067 Da
• Monoisotopic Mass: 297.067 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 468.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1