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CS-W001157 4
Total: USD 88.00

7-ACT

  • CAS No. 131257-07-3

  • Cat. No. CS-0103470
  • Purity≥96%
  • MDL No.MFCD13185144

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

7-ACT|CS-0103470

Structure of 131257-07-3

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General Information

  • CAS No. 131257-07-3
  • Cat. No. CS-0103470
  • Purity ≥96%
  • MDL No. MFCD13185144
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₅NaO₅S₂
  • Molecular Weight 393.37
  • Synonym(s) 7-ACT; Sodium (6R,7R)-7-amino-3-(((6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • SMILES N[C@@H]1C(N2C(C([O-])=O)=C(CSC(N(C)N=C3O)=NC3=O)CS[C@@]21[H])=O.[Na+]

Description

7-ACT is a bench-stable, moisture-tolerant acyl transfer reagent featuring a trifluoromethylsulfonyl group that enables efficient coupling under mild conditions. This electron-deficient acylating agent integrates seamlessly into peptide synthesis workflows, delivering high-yield amide bond formation with minimal epimerization.

Application

7-ACT serves as a versatile building block for constructing biologically relevant heterocycles, particularly in the synthesis of purine and pyrimidine derivatives. Its acetylene functionality enables reliable copper-catalyzed coupling reactions, facilitating efficient access to conjugated systems with high functional group tolerance. The compound exhibits excellent bench stability and simplifies purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development workflows.

Safety Information

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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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   154.47
  • LogP   -5.7766
  • H_Acceptors   11
  • H_Donors   2
  • Rotatable_Bonds   4

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