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MedKoo Cat#: 126739 | Name: Timcodar (dimesylate)

Description:

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

Timcodar, also known as VX-853, is a novel multidrug resistance Inhibitor. Timcodar was under clinical trials to treat cancaners and other diseases. Timcodar potentiated the activity of ethidium bromide (EtBr), a model efflux substrate, against three clinically significant gram-positive pathogens: Staphylococcus aureus, Enterococcus faecalis, and Streptococcus pneumoniae. Similar to reserpine, VX-853 directly blocked EtBr efflux in S. aureus. Furthermore, VX-853 was effective in lowering the MICs of several clinically used antibiotics, including fluoroquinolones, suggesting that VX-853 are representatives of a new class of bacterial efflux inhibitors with the potential for use in combination therapy.

Chemical Structure

Timcodar (dimesylate)
CAS#183313-30-6 (dimesylate)

Theoretical Analysis

MedKoo Cat#: 126739

Name: Timcodar (dimesylate)

CAS#: 183313-30-6 (dimesylate)

Chemical Formula: C45H53ClN4O12S2

Exact Mass: 940.2790

Molecular Weight: 941.51

Elemental Analysis: C, 57.41; H, 5.67; Cl, 3.77; N, 5.95; O, 20.39; S, 6.81

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 #
183313-30-6 (dimesylate) 179033-51-3 (free base)
Synonym
Timcodar (dimesylate); Timcodar dimesylate; VX-853; VX853; VX 853
IUPAC/Chemical Name
(S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-di(pyridin-4-yl)pentan-3-yl)-2-(N-methyl-2-oxo-2-(3,4,5-trimethoxyphenyl)acetamido)propanamide dimethanesulfonate
InChi Key
LXIAWDJOQUWVQS-SHRURHRBSA-N
InChi Code
InChI=1S/C43H45ClN4O6.2CH4O3S/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31;2*1-5(2,3)4/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3;2*1H3,(H,2,3,4)/t37-;;/m0../s1
SMILES Code
CS(O)(=O)=O.CS(O)(=O)=O.COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N(C)[C@@H](CC2=CC=C(Cl)C=C2)C(=O)N(CC3=CC=CC=C3)C(CCC4=CC=NC=C4)CCC5=CC=NC=C5
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 941.51 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: Grossman TH, Shoen CM, Jones SM, Jones PL, Cynamon MH, Locher CP. The Efflux Pump Inhibitor Timcodar (VX-853) Improves the Potency of Anti-Mycobacterial Agents. Antimicrob Agents Chemother. 2014 Dec 22. pii: AAC.04271-14. [Epub ahead of print] PubMed PMID: 25534740. 2: Hinds TD, Stechschulte LA, Elkhairi F, Sanchez ER. Analysis of FK506, timcodar (VX-853) and FKBP51 and FKBP52 chaperones in control of glucocorticoid receptor activity and phosphorylation. Pharmacol Res Perspect. 2014 Dec;2(6):e00076. doi: 10.1002/prp2.76. Epub 2014 Sep 1. PubMed PMID: 25505617; PubMed Central PMCID: PMC4186452. 3: Bayés M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2006 Oct;28(8):533-91. PubMed PMID: 17136234. 4: Hahn K, Sirdofsky M, Brown A, Ebenezer G, Hauer P, Miller C, Polydefkis M. Collateral sprouting of human epidermal nerve fibers following intracutaneous axotomy. J Peripher Nerv Syst. 2006 Jun;11(2):142-7. PubMed PMID: 16787512. 5: Polydefkis M, Sirdofsky M, Hauer P, Petty BG, Murinson B, McArthur JC. Factors influencing nerve regeneration in a trial of timcodar dimesylate. Neurology. 2006 Jan 24;66(2):259-61. PubMed PMID: 16434669. 6: Mitchell AM, Tom M, Mortimer RH. Thyroid hormone export from cells: contribution of P-glycoprotein. J Endocrinol. 2005 Apr;185(1):93-8. PubMed PMID: 15817830. 7: Mullin S, Mani N, Grossman TH. Inhibition of antibiotic efflux in bacteria by the novel multidrug resistance inhibitors biricodar (VX-710) and timcodar (VX-853). Antimicrob Agents Chemother. 2004 Nov;48(11):4171-6. PubMed PMID: 15504837; PubMed Central PMCID: PMC525397.