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CS-W001157 4
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Sodium α-ketoisocaproate

  • CAS No. 4502-00-5

  • Cat. No. CS-W018103
  • Purity≥98%
  • MDL No.MFCD00064193

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

Sodium α-ketoisocaproate|CS-W018103

Structure of 4502-00-5

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General Information

  • CAS No. 4502-00-5
  • Cat. No. CS-W018103
  • Purity ≥98%
  • MDL No. MFCD00064193
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉NaO₃
  • Molecular Weight 152.12
  • Synonym(s) Sodium 4-methyl-2-oxopentanoate; 2-Ketoisocaproic acid (sodium salt)
  • SMILES [Na].O=C(O)C(=O)CC(C)C

Description

Sodium 4-methyl-2-oxovalerate (CAS 4502-00-5) drives insulin secretion through leucine-derived metabolic flux, undergoes oxidative degradation to acetyl-CoA and acetoacetic acid, and regenerates leucine via transamination with glutamate, yielding α-ketoglutarate.

Application

Sodium 4-methyl-2-oxovalerate (CAS 4502-00-5) enables precise quantification of branched-chain keto acids in cellular extracts through HPLC-fluorescence detection, acting as a critical reference standard for metabolic profiling. This method delivers high sensitivity and reproducibility. Researchers rely on it to track key intermediates in amino acid catabolism with minimal background interference.

Synthesis

  • Route1
    • 5-(2-Methylpropylidene)imidazolidine-2,4-dione|CS-0966752
      55666-11-0
    • ~79%
    • In-stock
      Sodium α-ketoisocaproate|CS-W018103
      4502-00-5

    References

    • Lichtenecker, Roman J.; Weinhaeupl, Katharina; Reuther, Lukas; Schoerghuber, Julia; Schmid, Walther; Konrat, Robert Journal of Biomolecular NMR, 2013 , vol. 57, # 3 p. 205 - 209
  • Route2
    • null|null
      344886-78-8
    • ~73%
    • null|null
      108-94-1
    • In-stock
      Sodium α-ketoisocaproate|CS-W018103
      4502-00-5

    References

    • Ramage, Robert; Griffiths, Gareth J.; Shutt, Fiona E.; Sweeney, John N. A. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , # 7 p. 1531 - 1537
  • Route3
    • Ethyl 4-methyl-2-oxopentanoate|CS-0213049
      26073-09-6
    • ~%
    • In-stock
      Sodium α-ketoisocaproate|CS-W018103
      4502-00-5

    References

    • Kelly; Kelly, Nicholas M.; Reid; Gordon Reid; Willis; Willis, Christine L.; Winton; Winton, Peter L. Tetrahedron Letters, 1995 , vol. 36, # 45 p. 8315 - 8318

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319
Precautionary Statements : P264-P280-P305+P351+P338-P337+P317

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   0.0377
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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