MedKoo Cat#: 461610 | Name: Buthiobate

Description:

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

Buthiobate is a fungicide which inhibits lanosterol 14 alpha-demethylation catalyzed by a cytochrome P-450.

Chemical Structure

Buthiobate
Buthiobate
CAS#51308-54-4

Theoretical Analysis

MedKoo Cat#: 461610

Name: Buthiobate

CAS#: 51308-54-4

Chemical Formula: C21H28N2S2

Exact Mass: 372.1694

Molecular Weight: 372.58

Elemental Analysis: C, 67.70; H, 7.58; N, 7.52; S, 17.21

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 #
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Synonym
Buthiobate; Butiobate; Denmert; S 1358; S-1358; S1358;
IUPAC/Chemical Name
butyl (4-(tert-butyl)benzyl) (E)-pyridin-3-ylcarbonimidodithioate
InChi Key
ZZVVDIVWGXTDRQ-BSYVCWPDSA-N
InChi Code
InChI=1S/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3/b23-20+
SMILES Code
CCCCS/C(SCC1=CC=C(C(C)(C)C)C=C1)=N\C2=CC=CN=C2
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

Preparing Stock Solutions

The following data is based on the product molecular weight 372.58 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: Yoshida Y, Aoyama Y. Effects of buthiobate, a fungicide, on cytochrome P-450 of rat liver microsomes. J Pharmacobiodyn. 1985 Jun;8(6):432-9. PubMed PMID: 4057038. 2: Aoyama Y, Yoshida Y, Hata S, Nishino T, Katsuki H. Buthiobate: a potent inhibitor for yeast cytochrome P-450 catalyzing 14 alpha-demethylation of lanosterol. Biochem Biophys Res Commun. 1983 Sep 15;115(2):642-7. PubMed PMID: 6414474. 3: Aoyama Y, Yoshida Y, Hata S, Nishino T, Katsuki H, Maitra US, Mohan VP, Sprinson DB. Altered cytochrome P-450 in a yeast mutant blocked in demethylating C-32 of lanosterol. J Biol Chem. 1983 Aug 10;258(15):9040-2. PubMed PMID: 6409899. 4: Aaberg AM, Larsen CE, Rasmussen BS, Hansen CM, Larsen JM. Basic life support knowledge, self-reported skills and fears in Danish high school students and effect of a single 45-min training session run by junior doctors; a prospective cohort study. Scand J Trauma Resusc Emerg Med. 2014 Apr 14;22:24. doi: 10.1186/1757-7241-22-24. PubMed PMID: 24731392; PubMed Central PMCID: PMC4022325. 5: Boogaard A, Griffioen M, Cohen LH. Regulation of 3-hydroxy-3-methylglutaryl-coenzyme A reductase in human hepatoma cell line Hep G2. Effects of inhibitors of cholesterol synthesis on enzyme activity. Biochem J. 1987 Jan 15;241(2):345-51. PubMed PMID: 3036060; PubMed Central PMCID: PMC1147567. 6: Nakanishi S, Nishino T, Yabusaki Y, Fujisaki S, Katsuki H. Preparation of 14C-labeled and unlabeled sterol intermediates from yeast using metabolic inhibitors. J Biochem. 1984 Dec;96(6):1665-72. PubMed PMID: 6397465. 7: Hata S, Nishino T, Katsuki H, Aoyama Y, Yoshida Y. Two species of cytochrome P-450 involved in ergosterol biosynthesis of yeast. Biochem Biophys Res Commun. 1983 Oct 14;116(1):162-6. PubMed PMID: 6357195.