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2-(3-(But-3-yn-1-yl)-3H-diazirin-3-yl)acetic acid

  • CAS No. 2049109-24-0

  • Cat. No. CS-0196970
  • Purity≥95%
  • MDL No.MFCD31922730

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

2-(3-(But-3-yn-1-yl)-3H-diazirin-3-yl)acetic acid|CS-0196970

Structure of 2049109-24-0

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General Information

  • CAS No. 2049109-24-0
  • Cat. No. CS-0196970
  • Purity ≥95%
  • MDL No. MFCD31922730
  • Storage -20°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₂
  • Molecular Weight 152.15
  • Synonym(s) Diazirine-acid
  • SMILES O=C(O)CC1(N=N1)CCC#C

Description

This diazirine-functionalized acetic acid derivative enables site-specific photoaffinity labeling under mild conditions. The butynyl linker provides metabolic stability and facilitates conjugation via copper-catalyzed alkyne-azide cycloaddition, while the photoreactive diazirinyl group integrates efficiently into biomolecular targets upon UV irradiation.

Application

2-(3-(But-3-yn-1-yl)-3H-diazirin-3-yl)acetic acid serves as a versatile photoaffinity labeling probe, enabling site-specific covalent capture of interacting biomolecules upon UV irradiation. The diazirine ring exhibits high thermal stability and reacts efficiently with adjacent C–H bonds, while the butynyl linker provides compatibility with copper-catalyzed azide-alkyne cycloaddition (CuAAC) for conjugation. This bifunctional architecture facilitates modular probe design and purification via standard chromatographic methods, making it well-suited for target identification in drug discovery workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS05
Signal Word : Danger
UN#: 2924
Class : 3,8
Packing Group : Ⅱ
Hazard Statements : H226-H314
Precautionary Statements : P210-P240-P242-P243-P264-P271-P280-P301+P330+P331-P304+P340-P363-P370+P378-P501

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Computational Chemistry Data

  • TPSA   62.02
  • LogP   1.0366
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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