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MedKoo Cat#: 597016 | Name: Pentylmercapturic acid

Description:

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

Pentylmercapturic acid is a bioactive chemical.

Chemical Structure

Pentylmercapturic acid
Pentylmercapturic acid
CAS#35985-42-3

Theoretical Analysis

MedKoo Cat#: 597016

Name: Pentylmercapturic acid

CAS#: 35985-42-3

Chemical Formula: C10H19NO3S

Exact Mass: 233.1086

Molecular Weight: 233.32

Elemental Analysis: C, 51.48; H, 8.21; N, 6.00; O, 20.57; S, 13.74

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
Pentylmercapturic acid;
IUPAC/Chemical Name
N-acetyl-S-pentyl-L-cysteine
InChi Key
ZVJYZSIGVQNOPM-VIFPVBQESA-N
InChi Code
InChI=1S/C10H19NO3S/c1-3-4-5-6-15-7-9(10(13)14)11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)(H,13,14)/t9-/m0/s1
SMILES Code
O=C(O)[C@H](CSCCCCC)NC(C)=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
>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 233.32 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
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Biological monitoring of exposure to low concentrations of benzene in workers at a metallurgical coke production plant: new insights into S-phenylmercapturic acid and urinary benzene. Biomarkers. 2018 Feb;23(1):70-77. doi: 10.1080/1354750X.2017.1387935. Epub 2017 Oct 16. PubMed PMID: 29034721. 7: McNally K, Sams C, Loizou GD, Jones K. Evidence for non-linear metabolism at low benzene exposures? A reanalysis of data. Chem Biol Interact. 2017 Dec 25;278:256-268. doi: 10.1016/j.cbi.2017.09.002. Epub 2017 Sep 9. PubMed PMID: 28899792. 8: Cox LA, Schnatter AR, Boogaard PJ, Banton M, Ketelslegers HB. Non-parametric estimation of low-concentration benzene metabolism. Chem Biol Interact. 2017 Dec 25;278:242-255. doi: 10.1016/j.cbi.2017.08.007. Epub 2017 Sep 4. PubMed PMID: 28882553. 9: Mendes MPR, Silveira JN, Andre LC. An efficient analytical method for determination of S-phenylmercapturic acid in urine by HPLC fluorimetric detector to assessing benzene exposure. J Chromatogr B Analyt Technol Biomed Life Sci. 2017 Sep 15;1063:136-140. doi: 10.1016/j.jchromb.2017.07.039. Epub 2017 Aug 18. PubMed PMID: 28863335. 10: Jiménez-Garza O, Guo L, Byun HM, Carrieri M, Bartolucci GB, Zhong J, Baccarelli AA. Promoter methylation status in genes related with inflammation, nitrosative stress and xenobiotic metabolism in low-level benzene exposure: Searching for biomarkers of oncogenesis. Food Chem Toxicol. 2017 Nov;109(Pt 1):669-676. doi: 10.1016/j.fct.2017.08.019. Epub 2017 Aug 18. PubMed PMID: 28823944. 11: Liang BX, Liu XX, Chen LP, Yang AC, Huang M, Deng QF, Chen W, Xiao YM. [Value of DNA content in comet tail in predicting changes in blood cell counts in workers exposed to benzene]. Zhonghua Lao Dong Wei Sheng Zhi Ye Bing Za Zhi. 2017 Mar 20;35(3):171-175. doi: 10.3760/cma.j.issn.1001-9391.2017.03.003. Chinese. PubMed PMID: 28511299. 12: Lüdicke F, Picavet P, Baker G, Haziza C, Poux V, Lama N, Weitkunat R. Effects of Switching to the Tobacco Heating System 2.2 Menthol, Smoking Abstinence, or Continued Cigarette Smoking on Biomarkers of Exposure: A Randomized, Controlled, Open-Label, Multicenter Study in Sequential Confinement and Ambulatory Settings (Part 1). Nicotine Tob Res. 2018 Jan 5;20(2):161-172. doi: 10.1093/ntr/ntw287. PubMed PMID: 28177489; PubMed Central PMCID: PMC5896533. 13: Li J, Zhang X, He Z, Sun Q, Qin F, Huang Z, Zhang X, Sun X, Liu L, Chen L, Gao C, Wang S, Wang F, Li D, Zeng X, Deng Q, Wang Q, Zhang B, Tang H, Chen W, Xiao Y. MGMT hypomethylation is associated with DNA damage in workers exposed to low-dose benzene. Biomarkers. 2017 Jul;22(5):470-475. doi: 10.1080/1354750X.2016.1274335. Epub 2017 Jan 12. PubMed PMID: 28001451. 14: Chen Y, Sun P, Guo X, Gao A. MiR-34a, a promising novel biomarker for benzene toxicity, is involved in cell apoptosis triggered by 1,4-benzoquinone through targeting Bcl-2. Environ Pollut. 2017 Feb;221:256-265. doi: 10.1016/j.envpol.2016.11.072. Epub 2016 Dec 8. PubMed PMID: 27939626. 15: Gomes RP, Pena CB, Rezende J, Coutrim MX, Afonso RJ. Validation of a new high-throughput method to determine urinary S-phenylmercapturic acid using low-temperature partitioning extraction and ultra high performance liquid chromatography-mass spectrometry. J Sep Sci. 2017 Jan;40(2):550-557. doi: 10.1002/jssc.201600540. Epub 2016 Dec 27. PubMed PMID: 27860299. 16: Tranfo G, Pigini D, Paci E, Marini F, Bonanni RC. Association of exposure to benzene and smoking with oxidative damage to nucleic acids by means of biological monitoring of general population volunteers. Environ Sci Pollut Res Int. 2017 Jun;24(16):13885-13894. doi: 10.1007/s11356-016-6366-1. Epub 2016 Mar 14. PubMed PMID: 26971514. 17: Haiman CA, Patel YM, Stram DO, Carmella SG, Chen M, Wilkens LR, Le Marchand L, Hecht SS. Benzene Uptake and Glutathione S-transferase T1 Status as Determinants of S-Phenylmercapturic Acid in Cigarette Smokers in the Multiethnic Cohort. PLoS One. 2016 Mar 9;11(3):e0150641. doi: 10.1371/journal.pone.0150641. eCollection 2016. PubMed PMID: 26959369; PubMed Central PMCID: PMC4784986. 18: Carbonari D, Chiarella P, Mansi A, Pigini D, Iavicoli S, Tranfo G. Biomarkers of susceptibility following benzene exposure: influence of genetic polymorphisms on benzene metabolism and health effects. Biomark Med. 2016;10(2):145-63. doi: 10.2217/bmm.15.106. Epub 2016 Jan 14. Review. PubMed PMID: 26764284. 19: Lovreglio P, Doria D, Fracasso ME, Barbieri A, Sabatini L, Drago I, Violante FS, Soleo L. DNA damage and repair capacity in workers exposed to low concentrations of benzene. Environ Mol Mutagen. 2016 Mar;57(2):151-8. doi: 10.1002/em.21990. Epub 2015 Dec 8. PubMed PMID: 26646167. 20: Zarth AT, Murphy SE, Hecht SS. Benzene oxide is a substrate for glutathione S-transferases. 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