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MedKoo Cat#: 510228 | Name: VX-166

Description:

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

VX-166 is a broad caspase inhibitor, which can be used as a novel potential treatment for sepsis. VX-166 reduces fibrosis in an animal model of nonalcoholic steatohepatitis.

Chemical Structure

VX-166
VX-166
CAS#800408-39-3

Theoretical Analysis

MedKoo Cat#: 510228

Name: VX-166

CAS#: 800408-39-3

Chemical Formula: C22H21F4N3O8

Exact Mass: 531.1265

Molecular Weight: 531.41

Elemental Analysis: C, 49.72; H, 3.98; F, 14.30; N, 7.91; O, 24.09

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
VX166, VX 166, VX-166
IUPAC/Chemical Name
(S)-3-((S)-2-(3-((methoxycarbonyl)amino)-2-oxopyridin-1(2H)-yl)butanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
InChi Key
WQNDPVUOABHOHK-KBPBESRZSA-N
InChi Code
InChI=1S/C22H21F4N3O8/c1-3-14(29-6-4-5-12(21(29)34)28-22(35)36-2)20(33)27-13(8-16(31)32)15(30)9-37-19-17(25)10(23)7-11(24)18(19)26/h4-7,13-14H,3,8-9H2,1-2H3,(H,27,33)(H,28,35)(H,31,32)/t13-,14-/m0/s1
SMILES Code
O=C(O)C[C@H](NC([C@@H](N1C=CC=C(NC(OC)=O)C1=O)CC)=O)C(COC2=C(F)C(F)=CC(F)=C2F)=O
Appearance
White 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, not in water
Shelf Life
>2 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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 531.41 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
1: Collins JL, Peng X, Lee R, Witriol A, Pierre Z, Sciuto AM. Determination of LCt(50)s in anesthetized rats exposed to aerosolized nerve agents. Toxicol Mech Methods. 2013 Feb;23(2):127-33. doi: 10.3109/15376516.2012.730560. Epub 2012 Oct 19. PubMed PMID: 22978758. 2: Anstee QM, Concas D, Kudo H, Levene A, Pollard J, Charlton P, Thomas HC, Thursz MR, Goldin RD. Impact of pan-caspase inhibition in animal models of established steatosis and non-alcoholic steatohepatitis. J Hepatol. 2010 Sep;53(3):542-50. doi: 10.1016/j.jhep.2010.03.016. Epub 2010 May 26. PubMed PMID: 20557969. 3: Weber P, Wang P, Maddens S, Wang PSh, Wu R, Miksa M, Dong W, Mortimore M, Golec JM, Charlton P. VX-166: a novel potent small molecule caspase inhibitor as a potential therapy for sepsis. Crit Care. 2009;13(5):R146. doi: 10.1186/cc8041. Epub 2009 Sep 9. PubMed PMID: 19740426; PubMed Central PMCID: PMC2784364. 4: Witek RP, Stone WC, Karaca FG, Syn WK, Pereira TA, Agboola KM, Omenetti A, Jung Y, Teaberry V, Choi SS, Guy CD, Pollard J, Charlton P, Diehl AM. Pan-caspase inhibitor VX-166 reduces fibrosis in an animal model of nonalcoholic steatohepatitis. Hepatology. 2009 Nov;50(5):1421-30. doi: 10.1002/hep.23167. PubMed PMID: 19676126. 5: Hilmas CJ, Poole MJ, Finneran K, Clark MG, Williams PT. Galantamine is a novel post-exposure therapeutic against lethal VX challenge. Toxicol Appl Pharmacol. 2009 Oct 15;240(2):166-73. doi: 10.1016/j.taap.2009.07.029. Epub 2009 Jul 30. PubMed PMID: 19647007. 6: Sakurada K, Ikegaya H, Ohta H, Akutsu T, Takatori T. Hydrolysis of an acetylthiocholine by pralidoxime iodide (2-PAM). Toxicol Lett. 2006 Oct 25;166(3):255-60. Epub 2006 Aug 12. PubMed PMID: 16971069. 7: Haberham ZL, van den Brom WE, Venker-van Haagen AJ, de Groot HN, Baumans V, Hellebrekers LJ. The rat vertex-middle latency auditory-evoked potential as indicator of anaesthetic depth: a comparison with evoked-reflex testing. Brain Res. 2000 Aug 11;873(2):287-90. PubMed PMID: 10930556. 8: Bosković B. The influence of 2-/o-cresyl/-4 H-1 : 3 : 2-benzodioxa-phosphorin-2-oxide (CBDP) on organophosphate poisoning and its therapy. Arch Toxicol. 1979 Jul 11;42(3):207-16. PubMed PMID: 475595. 

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