U-34728E free base

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

MedKoo CAT#: 597950

CAS#: 40984-87-0

Description: U-34728E free base is a bioactive chemical.


Chemical Structure

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U-34728E free base
CAS# 40984-87-0

Theoretical Analysis

MedKoo Cat#: 597950
Name: U-34728E free base
CAS#: 40984-87-0
Chemical Formula: C19H35ClN2O6S
Exact Mass: 454.19
Molecular Weight: 455.000
Elemental Analysis: C, 50.16; H, 7.75; Cl, 7.79; N, 6.16; O, 21.10; S, 7.05

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: U-34728E free base; U 34728E free base; U34728E free base; U-34728E;

IUPAC/Chemical Name: (2S,4R)-N-((1S,2S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxamide

InChi Key: CDTZISBEQQFYAY-YLKLGEPYSA-N

InChi Code: InChI=1S/C19H35ClN2O6S/c1-4-5-11-8-12(22(9-11)6-7-23)18(27)21-13(10(2)20)17-15(25)14(24)16(26)19(28-17)29-3/h10-17,19,23-26H,4-9H2,1-3H3,(H,21,27)/t10-,11+,12-,13+,14-,15+,16+,17+,19+/m0/s1

SMILES Code: CCC[C@@H]1C[C@@H](C(N[C@@H]([C@H]2O[C@@H]([C@@H]([C@H]([C@H]2O)O)O)SC)[C@@H](Cl)C)=O)N(C1)CCO

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 455.00 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: Zheng M, He C, He Q. Fate of free chlorine in drinking water during distribution in premise plumbing. Ecotoxicology. 2015 Dec;24(10):2151-5. doi: 10.1007/s10646-015-1544-3. Epub 2015 Sep 25. PubMed PMID: 26407709.

2: Hsieh YL, Merritt JM, Yu W, Taylor LS. Salt Stability - The Effect of pHmax on Salt to Free Base Conversion. Pharm Res. 2015 Sep;32(9):3110-8. doi: 10.1007/s11095-015-1691-5. Epub 2015 Apr 15. PubMed PMID: 25874534.

3: Hata K, Urushibara A, Yamashita S, Lin M, Muroya Y, Shikazono N, Yokoya A, Fu H, Katsumura Y. Chemical repair activity of free radical scavenger edaravone: reduction reactions with dGMP hydroxyl radical adducts and suppression of base lesions and AP sites on irradiated plasmid DNA. J Radiat Res. 2015 Jan;56(1):59-66. doi: 10.1093/jrr/rru079. Epub 2014 Sep 11. PubMed PMID: 25212600; PubMed Central PMCID: PMC4572592.

4: He Y, Feng J, Brett GL, Liu Y, Miedziak PJ, Edwards JK, Knight DW, Li D, Hutchings GJ. Oxidation of Aliphatic Alcohols by Using Precious Metals Supported on Hydrotalcite under Solvent- and Base-Free Conditions. ChemSusChem. 2015 Oct 12;8(19):3314-22. doi: 10.1002/cssc.201500503. Epub 2015 Sep 4. PubMed PMID: 26337897.

5: Shimizu E, Tokuyama Y, Okutsu N, Nomura K, Danilov VI, Kurita N. Attacking mechanism of hydroxyl radical to DNA base-pair: density functional study in vacuum and in water. J Biomol Struct Dyn. 2015;33(1):158-66. doi: 10.1080/07391102.2013.864572. Epub 2014 Jan 27. PubMed PMID: 24460544.

6: Reyes E, Martin J, Moncada G, Neira M, Palma P, Gordan V, Oyarzo JF, Yevenes I. Caries-free subjects have high levels of urease and arginine deiminase activity. J Appl Oral Sci. 2014 Jun;22(3):235-40. PubMed PMID: 25025565; PubMed Central PMCID: PMC4072275.

7: Vara BA, Struble TJ, Wang W, Dobish MC, Johnston JN. Enantioselective small molecule synthesis by carbon dioxide fixation using a dual Brønsted acid/base organocatalyst. J Am Chem Soc. 2015 Jun 17;137(23):7302-5. doi: 10.1021/jacs.5b04425. Epub 2015 Jun 3. PubMed PMID: 26039818; PubMed Central PMCID: PMC4708058.

8: Yao Y, Li ZS. New insights into the mechanism of the Schiff base hydrolysis catalyzed by type I dehydroquinate dehydratase from S. enterica: a theoretical study. Org Biomol Chem. 2012 Sep 21;10(35):7037-44. doi: 10.1039/c2ob25605c. Epub 2012 Jul 31. PubMed PMID: 22847490.

9: Bao M, Joza P, Rickert WS, Lauterbach JH. An improved headspace solid-phase microextraction method for the analysis of free-base nicotine in particulate phase of mainstream cigarette smoke. Anal Chim Acta. 2010 Mar 17;663(1):49-54. doi: 10.1016/j.aca.2010.01.036. Epub 2010 Jan 25. PubMed PMID: 20172096.

10: Chen M, Lu X, Liu X, Hou Q, Zhu Y, Zhou H. Temperature-dependent phase transition and desorption free energy of sodium dodecyl sulfate at the water/vapor interface: approaches from molecular dynamics simulations. Langmuir. 2014 Sep 9;30(35):10600-7. doi: 10.1021/la502754x. Epub 2014 Aug 22. PubMed PMID: 25127193.

11: Winterfield C, van de Voort FR. Automated acid and base number determination of mineral-based lubricants by fourier transform infrared spectroscopy: commercial laboratory evaluation. J Lab Autom. 2014 Dec;19(6):577-86. doi: 10.1177/2211068214551825. Epub 2014 Sep 30. PubMed PMID: 25271046.

12: Qi W, Song B, Lei X, Wang C, Fang H. DNA base pair hybridization and water-mediated metastable structures studied by molecular dynamics simulations. Biochemistry. 2011 Nov 8;50(44):9628-32. doi: 10.1021/bi2002778. Epub 2011 Oct 17. PubMed PMID: 21980999.

13: Hiruma H, Kawakami T. Characteristics of weak base-induced vacuoles formed around individual acidic organelles. Folia Histochem Cytobiol. 2011;49(2):272-9. PubMed PMID: 21744328.

14: Magnet A, Fenoy S, Galván AL, Izquierdo F, Rueda C, Fernandez Vadillo C, Del Aguila C. A year long study of the presence of free living amoeba in Spain. Water Res. 2013 Dec 1;47(19):6966-72. doi: 10.1016/j.watres.2013.09.065. Epub 2013 Oct 22. PubMed PMID: 24200005.

15: Furman OS, Teel AL, Watts RJ. Mechanism of base activation of persulfate. Environ Sci Technol. 2010 Aug 15;44(16):6423-8. doi: 10.1021/es1013714. PubMed PMID: 20704244.

16: Hansen N, Dolenc J, Knecht M, Riniker S, van Gunsteren WF. Assessment of enveloping distribution sampling to calculate relative free enthalpies of binding for eight netropsin-DNA duplex complexes in aqueous solution. J Comput Chem. 2012 Mar 5;33(6):640-51. doi: 10.1002/jcc.22879. Epub 2012 Jan 7. PubMed PMID: 22228455.

17: Nan M, Yangmei C, Bangcheng Y. Magnesium metal--a potential biomaterial with antibone cancer properties. J Biomed Mater Res A. 2014 Aug;102(8):2644-51. doi: 10.1002/jbm.a.34933. Epub 2013 Sep 10. PubMed PMID: 24019294.

18: Viladoms J, Fedor MJ. The glmS ribozyme cofactor is a general acid-base catalyst. J Am Chem Soc. 2012 Nov 21;134(46):19043-9. doi: 10.1021/ja307021f. Epub 2012 Nov 9. PubMed PMID: 23113700; PubMed Central PMCID: PMC3504194.

19: Zhang Y, Xu JL, Qi W, Yuan ZH, Zhuang XS, Liu Y, He MC. A fractal-like kinetic equation to investigate temperature effect on cellulose hydrolysis by free and immobilized cellulase. Appl Biochem Biotechnol. 2012 Sep;168(1):144-53. Epub 2011 Sep 21. PubMed PMID: 21935587.

20: Mahadik DB, Rao AV, Rao AP, Wagh PB, Ingale SV, Gupta SC. Effect of concentration of trimethylchlorosilane (TMCS) and hexamethyldisilazane (HMDZ) silylating agents on surface free energy of silica aerogels. J Colloid Interface Sci. 2011 Apr 1;356(1):298-302. doi: 10.1016/j.jcis.2010.12.088. Epub 2011 Jan 3. PubMed PMID: 21277584.