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2363-83-9 | 2-Butenedial
CAS No: 2363-83-9 Catalog No: AG002NYI MDL No:
Product Description
Catalog Number:
AG002NYI
Chemical Name:
2-Butenedial
CAS Number:
2363-83-9
Molecular Formula:
C4H4O2
Molecular Weight:
84.0734
IUPAC Name:
(E)-but-2-enedial
InChI:
InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+
InChI Key:
JGEMYUOFGVHXKV-OWOJBTEDSA-N
SMILES:
O=CC=CC=O
NSC Number:
250971
Properties
Complexity:
63.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
84.021g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.074g/mol
Monoisotopic Mass:
84.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Functional and cellular consequences of covalent target protein modification by furan in rat liver. | Toxicology 20160615 |
| Case study on the utility of hepatic global gene expression profiling in the risk assessment of the carcinogen furan. | Toxicology and applied pharmacology 20140101 |
| Antibacterial and anti-inflammatory activity of traditional Chinese herb pairs, Angelica sinensis and Sophora flavescens. | Inflammation 20120601 |
| Identification and pathway mapping of furan target proteins reveal mitochondrial energy production and redox regulation as critical targets of furan toxicity. | Toxicological sciences : an official journal of the Society of Toxicology 20120401 |
| Interaction of 2'-deoxyadenosine with cis-2-butene-1,4-dial: computational approach to analysis of multistep chemical reactions. | The journal of physical chemistry. A 20120308 |
| Trapping of cis-2-butene-1,4-dial to measure furan metabolism in human liver microsomes by cytochrome P450 enzymes. | Drug metabolism and disposition: the biological fate of chemicals 20120301 |
| Increased oxidative stress is responsible for severer cerebral infarction in stroke-prone spontaneously hypertensive rats. | CNS neuroscience & therapeutics 20111201 |
| Polyamines are traps for reactive intermediates in furan metabolism. | Chemical research in toxicology 20111121 |
| Protective effect of neferine on endothelial cell nitric oxide production induced by lysophosphatidylcholine: the role of the DDAH-ADMA pathway. | Canadian journal of physiology and pharmacology 20110401 |
| Adenine sulfate improves cardiac function and the cardiac cholinergic system after myocardial infarction in rats. | Journal of pharmacological sciences 20110101 |
| Hepatobiliary toxicity of furan: identification of furan metabolites in bile of male f344/n rats. | Drug metabolism and disposition: the biological fate of chemicals 20101001 |
| A single dose of carbon monoxide intraperitoneal administration protects rat intestine from injury induced by lipopolysaccharide. | Cell stress & chaperones 20100901 |
| Bioactivity and pharmacokinetics of two human serum albumin-thymosin alpha1-fusion proteins, rHSA-Talpha1 and rHSA-L-Talpha1, expressed in recombinant Pichia pastoris. | Cancer immunology, immunotherapy : CII 20100901 |
| Toxicity and carcinogenicity of furan in human diet. | Archives of toxicology 20100701 |
| Protective effects of emodin combined with danshensu on experimental severe acute pancreatitis. | Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20100601 |
| Protection of carbon monoxide intraperitoneal administration from rat intestine injury induced by lipopolysaccharide. | Chinese medical journal 20100420 |
| Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore. | Bioorganic & medicinal chemistry letters 20100301 |
| Identification of furan metabolites derived from cysteine-cis-2-butene-1,4-dial-lysine cross-links. | Chemical research in toxicology 20100101 |
| Bidirectional influences of acetazolamide on central nervous system oxygen toxicity of rats. | Undersea & hyperbaric medicine : journal of the Undersea and Hyperbaric Medical Society, Inc 20100101 |
| Degraded protein adducts of cis-2-butene-1,4-dial are urinary and hepatocyte metabolites of furan. | Chemical research in toxicology 20090601 |
| A new nutrient polypeptide-Fe and its antioxidant ability. | International journal of food sciences and nutrition 20090101 |
| Tests for genotoxicity and mutagenicity of furan and its metabolite cis-2-butene-1,4-dial in L5178Y tk+/- mouse lymphoma cells. | Mutation research 20081208 |
| Silibinin protects against isoproterenol-induced rat cardiac myocyte injury through mitochondrial pathway after up-regulation of SIRT1. | Journal of pharmacological sciences 20061201 |
| Formation of 1,4-dioxo-2-butene-derived adducts of 2'-deoxyadenosine and 2'-deoxycytidine in oxidized DNA. | Chemical research in toxicology 20060801 |
| [Relationship between paraoxonase 1 55 Met/Leu, paraoxonase 2 148 Ala/Gly genetic polymorphisms and coronary artery disease]. | Zhonghua yi xue yi chuan xue za zhi = Zhonghua yixue yichuanxue zazhi = Chinese journal of medical genetics 20060601 |
| Detection of DNA adducts derived from the reactive metabolite of furan, cis-2-butene-1,4-dial. | Chemical research in toxicology 20060301 |
| Changes of nitric oxide, oxide free radicals, and systolic arterial blood pressure in rats with experimental lymphatostatic encephalopathy. | Clinical hemorheology and microcirculation 20060101 |
| Glutathione trapping to measure microsomal oxidation of furan to cis-2-butene-1,4-dial. | Drug metabolism and disposition: the biological fate of chemicals 20051001 |
| Protective effects of non-mitogenic human acidic fibroblast growth factor on hydrogen peroxide-induced damage to cardiomyocytes in vitro. | World journal of gastroenterology 20050921 |
| Synthesis of a 2'-deoxyguanosine adduct of cis-2-butene-1,4-dial, a reactive metabolite of furan. | Chemical research in toxicology 20050601 |
| Effect of astragalosides on intracellular calcium overload in cultured cardiac myocytes of neonatal rats. | The American journal of Chinese medicine 20050101 |
| The formation of substituted 1,N6-etheno-2'-deoxyadenosine and 1,N2-etheno-2'-deoxyguanosine adducts by cis-2-butene-1,4-dial, a reactive metabolite of furan. | Chemical research in toxicology 20041201 |
| 5'-(2-phosphoryl-1,4-dioxobutane) as a product of 5'-oxidation of deoxyribose in DNA: elimination as trans-1,4-dioxo-2-butene and approaches to analysis. | Chemical research in toxicology 20041101 |
| Reaction of 2'-deoxyribonucleosides with cis- and trans-1,4-dioxo-2-butene. | Biochemical and biophysical research communications 20041022 |
| Characterization of nucleoside adducts of cis-2-butene-1,4-dial, a reactive metabolite of furan. | Chemical research in toxicology 20020301 |
| Reaction of cis- and trans-2-Butene-1,4-dial with 2'-deoxycytidine to form stable oxadiazabicyclooctaimine adducts. | Journal of the American Chemical Society 20010321 |
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