ONC206 - 10mM in DMSO , CAS No.1638178-87-6

CAS: 1638178-87-6 Cat. No.: O422018 Summenformel: C₂₃H₂₂F₂N₄O Molekulargewicht: 408.44

QUALITÄT & REINHEIT 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

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.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528766475

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Imidazopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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