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

CAS: 50693-74-8 Cat. No.: W424365 Formula: C₁₂H₁₈N₆O₂ Peso molecolare: 278.32 PubChem CID: 706307

QUALITÀ & PUREZZA 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

Panoramica

PARP inhibitors

Specifiche

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

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

PubChem CID

706307

Peso molecolare

278.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

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.