ONC206 - ≥98% , CAS No.1638178-87-6

CAS: 1638178-87-6 Cat. No.: O401709 Fórmula: C₂₃H₂₂F₂N₄O Peso molecular: 408.44

GRAU & PUREZA ≥98%

Synonyms

Onc 206 | AKOS040742338 | 11-benzyl-7-[(2,4-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one | ONC 206 [WHO-DD] | s6853 | HY-135147 | 1638178-87-6 | ONC-206, ONC206 Powder | OW6LM47PNK | 4-((2,4-Difluorophenyl)methyl)-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Product Introduction

ONC206 is an analogue of TRAIL inducer ONC201 and is a selective antagonist of the D2-like dopamine receptors (DRD2/3/4) at nanomolar concentrations. ONC206 also has broad-spectrum anti-tumor activity.

Especificações

Sinónimos

Onc 206 | AKOS040742338 | 11-benzyl-7-[(2,4-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one | ONC 206 [WHO-DD] | s6853 | HY-135147 | 1638178-87-6 | ONC-206, ONC206 Powder | OW6LM47PNK | 4-((2,4-Difluorophenyl)methyl)-2

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

ONC206 (Oncoceutics) is an imipiridone with nanomolar potency and analogue of ONC201, a selective dopamine receptor D2 (DRD2) antagonist currently being investigated in phase II clinical trials for serous endometrial cancer (SEC). ONC206 inhibited cellul

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504773204

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773204

Sorrisos canónicos

C1CN(CC2=C1N3CCN=C3N(C2=O)CC4=C(C=C(C=C4)F)F)CC5=CC=CC=C5

IUPAC Name

11-benzyl-7-[(2,4-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one

InChIKey

ITMGVSSHWMTJRR-UHFFFAOYSA-N

INCHI

1S/C23H22F2N4O/c24-18-7-6-17(20(25)12-18)14-29-22(30)19-15-27(13-16-4-2-1-3-5-16)10-8-21(19)28-11-9-26-23(28)29/h1-7,12H,8-11,13-15H2

SMILES isoméricas

C1CN(CC2=C1N3CCN=C3N(C2=O)CC4=C(C=C(C=C4)F)F)CC5=CC=CC=C5

Peso molecular

408.44

Reaxy-Rn

30398993

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30398993&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyrimidines
• Alternative Parents: Phenylmethylamines Benzylamines Fluorobenzenes Aralkylamines Hydropyrimidines Aryl fluorides Vinylogous amides Imidazolines Trialkylamines Guanidines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Enamines Carboximidamides Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyrimidine - Phenylmethylamine - Benzylamine - Aralkylamine - Halobenzene - Fluorobenzene - Benzenoid - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Vinylogous amide - 2-imidazoline - Tertiary aliphatic amine - Tertiary amine - Guanidine - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as imidazopyrimidines. These are organic polycyclic compounds containing an imidazole ring fused to a pyrimidine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO: 100 mg/mL (244.83 mM), Need ultrasonic
• Peso molecular: 408.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 408.176 Da
• Monoisotopic Mass: 408.176 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 733.000
• 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

Perguntas frequentes

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 1638178-87-6, the molecular formula is C23H22F2N4O, and the molecular weight is 408.44 g/mol. InChIKey ITMGVSSHWMTJRR-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.