Ethyl aspartylphenylalaninate

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 597756

CAS#: 22839-83-4

Description: Ethyl aspartylphenylalaninate is an artificial non-saccharide sweetener used as a sugar substitute in some foods and beverages.

Chemical Structure

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Ethyl aspartylphenylalaninate
CAS# 22839-83-4
Instruction

Theoretical Analysis

MedKoo Cat#: 597756
Name: Ethyl aspartylphenylalaninate
CAS#: 22839-83-4
Chemical Formula: C15H20N2O5
Exact Mass: 308.14
Molecular Weight: 308.330
Elemental Analysis: C, 58.43; H, 6.54; N, 9.09; O, 25.94

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: Ethyl aspartylphenylalaninate;

IUPAC/Chemical Name: (S)-3-amino-4-(((S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid

InChi Key: SZXAXWBWWRMFNS-RYUDHWBXSA-N

InChi Code: InChI=1S/C15H20N2O5/c1-2-22-15(21)12(8-10-6-4-3-5-7-10)17-14(20)11(16)9-13(18)19/h3-7,11-12H,2,8-9,16H2,1H3,(H,17,20)(H,18,19)/t11-,12-/m0/s1

SMILES Code: O=C(OCC)[C@H](CC1=CC=CC=C1)NC([C@H](CC(O)=O)N)=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 308.33 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: Löser C, Urit T, Bley T. Perspectives for the biotechnological production of ethyl acetate by yeasts. Appl Microbiol Biotechnol. 2014 Jun;98(12):5397-415. doi: 10.1007/s00253-014-5765-9. Epub 2014 May 1. Review. PubMed PMID: 24788328.

2: Crowell SR, Smith JN, Creim JA, Faber W, Teeguarden JG. Physiologically based pharmacokinetic modeling of ethyl acetate and ethanol in rodents and humans. Regul Toxicol Pharmacol. 2015 Oct;73(1):452-62. doi: 10.1016/j.yrtph.2015.07.021. Epub 2015 Aug 18. PubMed PMID: 26297692.

3: Kim ES, McCormack PL. Icosapent ethyl: a review of its use in severe hypertriglyceridemia. Am J Cardiovasc Drugs. 2014 Dec;14(6):471-8. doi: 10.1007/s40256-014-0099-7. Review. PubMed PMID: 25428605.

4: Braeckman RA, Stirtan WG, Soni PN. Effects of Icosapent Ethyl (Eicosapentaenoic Acid Ethyl Ester) on Pharmacokinetic Parameters of Rosiglitazone in Healthy Subjects. Clin Pharmacol Drug Dev. 2015 Mar;4(2):143-148. Epub 2014 Dec 3. PubMed PMID: 26097794; PubMed Central PMCID: PMC4467261.

5: Braeckman RA, Stirtan WG, Soni PN. Effect of concomitant icosapent ethyl (eicosapentaenoic acid ethyl ester) on the pharmacokinetics of atorvastatin. Clin Drug Investig. 2015 Jan;35(1):45-51. doi: 10.1007/s40261-014-0252-8. PubMed PMID: 25471740; PubMed Central PMCID: PMC4281350.

6: Lytra G, Tempere S, de Revel G, Barbe JC. Distribution and organoleptic impact of ethyl 2-methylbutanoate enantiomers in wine. J Agric Food Chem. 2014 Jun 4;62(22):5005-10. doi: 10.1021/jf500670z. Epub 2014 May 20. PubMed PMID: 24844693.

7: Yuan C, Lu Z, Jin Z. Characterization of an inclusion complex of ethyl benzoate with hydroxypropyl-β-cyclodextrin. Food Chem. 2014;152:140-5. doi: 10.1016/j.foodchem.2013.11.139. Epub 2013 Nov 28. PubMed PMID: 24444918.

8: Kedia AW, Lynch E. Effects of switching from omega-3-acid ethyl esters to icosapent ethyl in a statin-treated patient with elevated triglycerides. Postgrad Med. 2015;127(8):869-73. doi: 10.1080/00325481.2015.1100086. Epub 2015 Oct 9. PubMed PMID: 26453247.

9: Xu Q, Zhu RQ. catena-Poly[[bis-(1-ethyl-1H-imidazole-κN)cadmium]-di-μ-chlorido-[(1-ethyl-1H-imi dazole-κN)cadmium]-di-μ-chlorido-[(1-ethyl-1H-imidazole-κN)cadmium]-di-μ-chlorido -[bis-(1-ethyl-1H-imidazole-κN)cadmium]]. Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1850-1. doi: 10.1107/S160053681104894X. Epub 2011 Nov 30. PubMed PMID: 22199622; PubMed Central PMCID: PMC3238745.

10: Onwudiwe DC, Strydom CA, Hosten EC. (2-Ethyl-2-oxazoline-κN)bis(N-ethyl-N-phenyl-dithio-carbamato-κ(2)S,S')cadmium. Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):m1309. doi: 10.1107/S1600536812038433. Epub 2012 Sep 29. PubMed PMID: 23125621; PubMed Central PMCID: PMC3470177.

11: Han B, Li W, Sun Y, Zhou L, Xu Y, Zhao X. A prolyl-hydroxylase inhibitor, ethyl-3,4-dihydroxybenzoate, induces cell autophagy and apoptosis in esophageal squamous cell carcinoma cells via up-regulation of BNIP3 and N-myc downstream-regulated gene-1. PLoS One. 2014 Sep 18;9(9):e107204. doi: 10.1371/journal.pone.0107204. eCollection 2014. PubMed PMID: 25232961; PubMed Central PMCID: PMC4169646.

12: Polishchuk D, Gehrmann R, Tan V. Skin sterility after application of ethyl chloride spray. J Bone Joint Surg Am. 2012 Jan 18;94(2):118-20. doi: 10.2106/JBJS.K.00229. PubMed PMID: 22257997.

13: Hixson JL, Sleep NR, Capone DL, Elsey GM, Curtin CD, Sefton MA, Taylor DK. Hydroxycinnamic acid ethyl esters as precursors to ethylphenols in wine. J Agric Food Chem. 2012 Mar 7;60(9):2293-8. doi: 10.1021/jf204908s. Epub 2012 Feb 23. PubMed PMID: 22324721.

14: Lee JG, Park SK, Yoon HJ, Kang DH, Kim M. Exposure assessment and risk characterisation of ethyl carbamate from Korean traditional fermented rice wine, Takju and Yakju. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2016;33(2):207-14. doi: 10.1080/19440049.2015.1124460. Epub 2016 Jan 21. PubMed PMID: 26794849.

15: Kintz P, Nicholson D. Testing for ethanol markers in hair: discrepancies after simultaneous quantification of ethyl glucuronide and fatty acid ethyl esters. Forensic Sci Int. 2014 Oct;243:44-6. doi: 10.1016/j.forsciint.2014.03.012. Epub 2014 Apr 13. PubMed PMID: 24794020.

16: Seo H, Cho S. Inhibition of dual-specificity phosphatase 26 by ethyl-3,4-dephostatin: Ethyl-3,4-dephostatin as a multiphosphatase inhibitor. Pharmazie. 2016 Apr;71(4):196-200. PubMed PMID: 27209699.

17: Hung SH, Tseng TM, Hsu HT, Tseng H. Adhesive strength of ethyl-2-cyanoacrylate tissue adhesive: how strong is it? Surg Today. 2014 May;44(5):927-32. doi: 10.1007/s00595-013-0777-0. Epub 2013 Nov 12. PubMed PMID: 24218008.

18: Yang L, Li X, Li X, Su Z, Zhang C, Zhang H. Microbial community dynamics during the bioremediation process of chlorimuron-ethyl-contaminated soil by Hansschlegelia sp. strain CHL1. PLoS One. 2015 Feb 17;10(2):e0117943. doi: 10.1371/journal.pone.0117943. eCollection 2015. PubMed PMID: 25689050; PubMed Central PMCID: PMC4331280.

19: Mekki S, Rolland V, van Lee A, Rolland M. threo-Diethyl 2-ethyl-2-hy-droxy-3-(4-methyl-benzene-sulfonamido)-succinate. Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2181-2. doi: 10.1107/S1600536811029527. Epub 2011 Jul 30. PubMed PMID: 22247718; PubMed Central PMCID: PMC3257162.

20: Cheema N, Frangou S, McCrone P. Cost-effectiveness of ethyl-eicosapentaenoic acid in the treatment of bipolar disorder. Ther Adv Psychopharmacol. 2013 Apr;3(2):73-81. doi: 10.1177/2045125312464105. PubMed PMID: 24167678; PubMed Central PMCID: PMC3805392.