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CS-W001157 4
Total: USD 88.00

Methylliberine

  • CAS No. 51168-26-4

  • Cat. No. CS-0133882
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Methylliberine|CS-0133882

Structure of 51168-26-4

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General Information

  • CAS No. 51168-26-4
  • Cat. No. CS-0133882
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₄O₃
  • Molecular Weight 224.22
  • Synonym(s) None
  • SMILES O=C1C2=C(N(C)C(N2C)=O)N=C(N1C)OC

Description

Methylliberine delivers a potent, bench-stable scaffold for probing purinergic signaling pathways. Featuring a methylated xanthine core, this compound exhibits enhanced metabolic stability and selective adenosine receptor affinity. Its moisture-tolerant crystalline form simplifies handling in synthetic workflows, enabling efficient integration into medicinal chemistry campaigns targeting CNS disorders.

Application

Methylliberine serves as a versatile purine derivative enabling selective alkylation and nucleophilic substitution reactions in synthetic organic chemistry. Its stable heterocyclic core facilitates functionalization under mild conditions, offering robust utility in the construction of bioactive scaffolds. The compound demonstrates excellent bench stability and compatibility with common protecting group strategies, making it a practical choice for iterative synthesis workflows in medicinal chemistry and process development.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   71.05
  • LogP   -1.0207
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   1

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