PluriSIn #2 - ≥98% , CAS No.56563-17-8

CAS: 56563-17-8 Cat. No.: P647953 Molecular Weight: 249.20 PubChem CID: 92451

GRADE & PURITY ≥98%

Synonyms

1-Phenylcarbamoyl-5-fluoroureacil | PluriSIn #2 | 1(2H)-PYRIMIDINECARBOXAMIDE, 5-FLUORO-3,4-DICHLO | 1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-2,4-dioxo-N-phenyl- | AKOS040755171 | 5-fluoro-2,4-dioxo-N-phenylpyrimidine-1-carboxamide | DTXSID908766

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

PluriSIn #2 is a selective transcriptional inhibitor of topoisomerase II α (TOP2A) . PluriSIn #2 is a compound that selectively eliminates undifferentiated human pluripotent stem cells (hPSCs)

In Vitro

PluriSIn #2 (20 µM; 12 hours) treatment reduces TOP2A expression at the protein level. A 24h exposure of PluriSIn #2 (20 µM) is sufficient to induce massive cell death in hPSCs, but doesn’t affect the viability of various other cell types derived from them. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: B153 and HUES9 human pluripotent stem cells (hPSCs) Concentration: 20 µM Incubation Time: 12 hours Result: Reduced TOP2A expression at the protein level.

Form:Solid

IC50& Target:topoisomerase II alpha

Specifications

Synonyms

1-Phenylcarbamoyl-5-fluoroureacil | PluriSIn #2 | 1(2H)-PYRIMIDINECARBOXAMIDE, 5-FLUORO-3, 4-DICHLO | 1(2H)-Pyrimidinecarboxamide, 5-fluoro-3, 4-dihydro-2, 4-dioxo-N-phenyl- | AKOS040755171 | 5-fluoro-2, 4-dioxo-N-phenylpyrimidine-1-carboxamide | DTXSID908766

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

PluriSIn #2 is a selective transcriptional inhibitor of topoisomerase II α (TOP2A) . PluriSIn #2 is a compound that selectively eliminates undifferentiated human pluripotent stem cells (hPSCs).

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)NC(=O)N2C=C(C(=O)NC2=O)F
• IUPAC Name: 5-fluoro-2,4-dioxo-N-phenylpyrimidine-1-carboxamide
• InChIKey: PXXNTSRWKSCFCK-UHFFFAOYSA-N
• INCHI: 1S/C11H8FN3O3/c12-8-6-15(11(18)14-9(8)16)10(17)13-7-4-2-1-3-5-7/h1-6H,(H,13,17)(H,14,16,18)
• Isomeric SMILES: C1=CC=C(C=C1)NC(=O)N2C=C(C(=O)NC2=O)F
• Alternate CAS: 56563-17-8
• PubChem CID: 92451
• Molecular Weight: 249.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Pyrimidones Halopyrimidines Hydropyrimidines Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - Pyrimidone - Halopyrimidine - Pyrimidine - Hydropyrimidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Urea - Carbonic acid derivative - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 5 mg/mL (20.06 mM; Need ultrasonic)
• Molecular Weight: 249.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 249.055 Da
• Monoisotopic Mass: 249.055 Da
• Topological Polar Surface Area: 78.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 416.000
• 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