Theophylline-d6 - ≥99% , CAS No.117490-39-8

CAS: 117490-39-8 Cat. No.: T648057 Summenformel: C₇H₂D₆N₄O₂ Molekulargewicht: 186.20 EG-Nummer: 802-424-9 PubChem CID: 16120411

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Theophylline-d 6 is the deuterium labeled Theophylline. Theophylline is a nonselective phosphodiesterase (PDE) inhibitor , adenosine receptor blocker, and histone deacetylase (HDAC) activator.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Theophylline-d 6 is the deuterium labeled Theophylline. Theophylline is a nonselective phosphodiesterase (PDE) inhibitor , adenosine receptor blocker, and histone deacetylase (HDAC) activator.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: [2H]C([2H])([2H])N1C2=C(C(=O)N(C1=O)C([2H])([2H])[2H])NC=N2
• Isomere SMILES: [2H]C([2H])([2H])N1C2=C(C(=O)N(C1=O)C([2H])([2H])[2H])NC=N2
• PubChem CID: 16120411
• Molekulargewicht: 186.20

Chemische und physikalische Eigenschaften

• Molekulargewicht: 186.200 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 186.102 Da
• Monoisotopic Mass: 186.102 Da
• Topological Polar Surface Area: 69.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 267.000
• Isotope Atom Count: 6
• 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