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S-(2,3,4-Trihydroxybutyl)mercapturic Acid - CAS 219965-90-9

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Category
Main Product
Product Name
S-(2,3,4-Trihydroxybutyl)mercapturic Acid
Catalog Number
219965-90-9
Synonyms
N-Acetyl-S-(2,3,4-trihydroxybutyl)-
CAS Number
219965-90-9
Molecular Weight
267.30
Molecular Formula
C9H17NO6S
COA
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MSDS
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Canonical SMILES
CC(=O)NC(CSCC(C(CO)O)O)C(=O)O
InChI
InChI=1S/C9H17NO6S/c1-5(12)10-6(9(15)16)3-17-4-8(14)7(13)2-11/h6-8,11,13-14H,2-4H2,1H3,(H,10,12)(H,15,16)/t6-,7?,8?/m0/s1
InChIKey
QGRUOXFPDCTBCA-KKMMWDRVSA-N
Structure
CAS 219965-90-9 S-(2,3,4-Trihydroxybutyl)mercapturic Acid
Specification
Purity
95%
Boiling Point
689.927ºC at 760 mmHg
Density
1.443g/cm3
Appearance
Colorless Oil
Application
A metabolite of butadiene and butadiene monoepoxide
Reference Reading
1.Genotoxic markers among butadiene polymer workers in China.
Hayes RB1, Zhang L, Yin S, Swenberg JA, Xi L, Wiencke J, Bechtold WE, Yao M, Rothman N, Haas R, O'Neill JP, Zhang D, Wiemels J, Dosemeci M, Li G, Smith MT. Carcinogenesis. 2000 Jan;21(1):55-62.
While 1,3-butadiene is carcinogenic in rodents, cancer causation in humans is less certain. We examined a spectrum of genotoxic outcomes in 41 butadiene polymer production workers and 38 non-exposed controls, in China, to explore the role of butadiene in human carcinogenesis. Because in vitro studies suggest that genetic polymorphisms in glutathione S-transferase enzymes influence genotoxic effects of butadiene, we also related genotoxicity to genetic polymorphisms in GSTT1 and GSTM1. Among butadiene-exposed workers, median air exposure was 2 p.p.m. (6 h time-weighted average), due largely to intermittent high level exposures. Compared with unexposed subjects, butadiene-exposed workers had greater levels of hemoglobin N-(2,3,4-trihydroxybutyl)valine (THBVal) adducts (P < 0.0001) and adduct levels tended to correlate, among butadiene-exposed workers, with air measures (P = 0.03). Butadiene-exposed workers did not differ, however, from unexposed workers with respect to frequency of uninduced or diepoxybutane-induced sister chromatid exchanges, aneuploidy as measured by fluorescence in situ hybridization of chromosomes 1, 7, 8 and 12, glycophorin A variants or lymphocyte hprt somatic mutation.
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