Ethyl phenylglyoxylate
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MedKoo CAT#: 591816

CAS#: 1603-79-8

Description: Ethyl phenylglyoxylate is a simultaneous inhibitor and substrate of chicken liver carboxylesterase

Chemical Structure

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Ethyl phenylglyoxylate
CAS# 1603-79-8
Instruction

Theoretical Analysis

MedKoo Cat#: 591816
Name: Ethyl phenylglyoxylate
CAS#: 1603-79-8
Chemical Formula: C10H10O3
Exact Mass: 178.06
Molecular Weight: 178.190
Elemental Analysis: C, 67.41; H, 5.66; O, 26.94

Price and Availability

Size Price Availability Quantity
5g USD 250 2 weeks
25g USD 450 2 weeks
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Synonym: Ethyl phenylglyoxylate; AI3-10033 AI3 10033; AI310033

IUPAC/Chemical Name: Benzeneacetic acid, alpha-oxo-, ethyl ester

InChi Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N

InChi Code: InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3

SMILES Code: O=C(OCC)C(C1=CC=CC=C1)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 178.19 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Bentabed-Ababsa G, Derdour A, Roisnel T, Sáez JA, Domingo LR, Mongin F. Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones. Org Biomol Chem. 2008 Sep 7;6(17):3144-57. doi: 10.1039/b804856h. Epub 2008 Jul 3. PubMed PMID: 18698474.

2: Tokuda O, Kano T, Gao WG, Ikemoto T, Maruoka K. A practical synthesis of (S)-2-cyclohexyl-2-phenylglycolic acid via organocatalytic asymmetric construction of a tetrasubstituted carbon center. Org Lett. 2005 Oct 27;7(22):5103-5. PubMed PMID: 16235968.

3: Sztanke K. Synthesis of new derivatives of 8-aryl-3-phenyl-6,7-dihydro-4H-imidazo[2, 1-c][1,2,4]triazin-4-one. Acta Pol Pharm. 2004 Sep-Oct;61(5):373-7. PubMed PMID: 15747694.

4: Hu S, Neckers DC. Photochemical Reactions of Alkyl Phenylglyoxylates(1). J Org Chem. 1996 Sep 6;61(18):6407-6415. PubMed PMID: 11667484.

5: Nakamura K, Ochi T, Matsuo M. [Stereoselective synthesis and pharmacological properties of metabolites of new antiinflammatory agent. 4'-Acetyl-2'-(2,4-difluorophenoxy)methanesulfonanilide (FK3311)]. Yakugaku Zasshi. 1995 Nov;115(11):928-36. Japanese. PubMed PMID: 8568636.

6: Berndt MC, de Jersey J, Zerner B. Ethyl phenylglyoxylate, a simultaneous inhibitor and substrate of chicken liver carboxylesterase (EC 3.1.1.1). Enzyme-catalyzed fragmentation of (E)-benzil monoxime O-2,4-dinitrophenyl ether. J Am Chem Soc. 1977 Dec 7;99(25):8334-5. PubMed PMID: 925269.