PRT 4165 - ≥98% , CAS No.31083-55-3

CAS: 31083-55-3 Cat. No.: P275629 分子式: C₁₅H₉NO₂ 分子量: 235.24 EC番号: 979-691-4 PubChem CID: 207893

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

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-

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%

名前と識別子

• パブケム・シド: 504757836
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504757836
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC=C2C(=C1)C(=O)C(=CC3=CN=CC=C3)C2=O
• PubChem CID: 207893
• 分子量: 235.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO to 100 mM and in 1 eq. HCl to 5 mM (with warming)
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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.