PRT 4165 - 10mM in DMSO , CAS No.31083-55-3

CAS: 31083-55-3 Cat. No.: P423205 Formula: C₁₅H₉NO₂ Molecular Weight: 235.24 EC Number: 979-691-4 PubChem CID: 207893

GRADE & PURITY 10mM in DMSO

Synonyms

DTXSID90185032 | 2-(3-PYRIDYLMETHYLENE)-1,3-INDANDIONE | PRT4165, >=98% (HPLC) | UNII-J625FJL5DX | EX-A811 | NSC600157 | NSC-600157 | TimTec1_001761 | 2-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-indene-1,3-dione | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

DTXSID90185032 | 2-(3-PYRIDYLMETHYLENE)-1,3-INDANDIONE | PRT4165, >=98% (HPLC) | UNII-J625FJL5DX | EX-A811 | NSC600157 | NSC-600157 | TimTec1_001761 | 2-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-indene-1,3-dione | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Bmi1/Ring1A inhibitor (IC 50 = 3.9 μM). Prevents ubiquitination and drug-induced degradation of topoisomerase. Blocks PRC1-mediated histone H2A ubiquitination in vivo.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(=O)C(=CC3=CN=CC=C3)C2=O
• IUPAC Name: 2-(pyridin-3-ylmethylidene)indene-1,3-dione
• InChIKey: OMHZFEWYVFWVLI-UHFFFAOYSA-N
• INCHI: 1S/C15H9NO2/c17-14-11-5-1-2-6-12(11)15(18)13(14)8-10-4-3-7-16-9-10/h1-9H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C(=CC3=CN=CC=C3)C2=O
• PubChem CID: 207893
• Molecular Weight: 235.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanediones
• Alternative Parents: Aryl ketones Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indanedione - Aryl ketone - Pyridine - Heteroaromatic compound - Ketone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
• 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 235.240 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.063 Da
• Monoisotopic Mass: 235.063 Da
• Topological Polar Surface Area: 47.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 373.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 31083-55-3, the molecular formula is C15H9NO2, and the molecular weight is 235.24 g/mol. InChIKey OMHZFEWYVFWVLI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.