WAY-299788 - 10mM in DMSO , CAS No.50693-74-8

CAS: 50693-74-8 Cat. No.: W424365 Summenformel: C₁₂H₁₈N₆O₂ Molekulargewicht: 278.32 PubChem CID: 706307

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

1,3,7-trimethyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione | SCHEMBL531646 | 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione | DTXSID20351662 | 1,3,7-trimethyl-8-(piperazin-1-yl)-1h-purine-2,6(3h,7h)-dione | HMS1631L05 | AKOS0

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

PARP inhibitors

Spezifikationen

Synonyme

1,3,7-trimethyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione | SCHEMBL531646 | 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione | DTXSID20351662 | 1,3,7-trimethyl-8-(piperazin-1-yl)-1h-purine-2,6(3h,7h)-dione | HMS1631L05 | AKOS0

Spezifikationen & Reinheit

10mM in DMSO

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

Kanonisches Lächeln

CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C

IUPAC Name

1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione

InChIKey

CWQBJMULHKYRNB-UHFFFAOYSA-N

INCHI

1S/C12H18N6O2/c1-15-8-9(16(2)12(20)17(3)10(8)19)14-11(15)18-6-4-13-5-7-18/h13H,4-7H2,1-3H3

Isomere SMILES

CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C

PubChem CID

706307

Molekulargewicht

278.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Xanthines 6-oxopurines Alkaloids and derivatives Dialkylarylamines Pyrimidones Aminoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Dialkylamines Organopnictogen compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Dialkylarylamine - Pyrimidone - Aminoimidazole - Pyrimidine - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Lactam - Azacycle - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 278.310 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 278.149 Da
• Monoisotopic Mass: 278.149 Da
• Topological Polar Surface Area: 73.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 424.000
• 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

Häufig gestellte Fragen

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 50693-74-8, the molecular formula is C12H18N6O2, and the molecular weight is 278.32 g/mol. InChIKey CWQBJMULHKYRNB-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.