OCHRATOXIN A Struktur

N-((5-Chlor-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-L-phenylalanin,(R)-

Bezeichnung:N-((5-Chlor-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-L-phenylalanin,(R)-

CAS-Nr303-47-9

Englisch Name:OCHRATOXIN A

CBNumberCB5325836

SummenformelC20H18ClNO6

Molgewicht403.81

MOL-Datei303-47-9.mol

Synonyma

(R)-N-((5-Chlor-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo[c]pyran-7-yl)carbonyl)-3-phenylalanin

N-((5-Chlor-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-L-phenylalanin,(R)-

N-((5-Chlor-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-L-phenylalanin,(R)- physikalisch-chemischer Eigenschaften

Schmelzpunkt	169°C
alpha	D -118° (c = 1.1 in CHCl3)
Siedepunkt	632.4±55.0 °C(Predicted)
Dichte	1.2459 (rough estimate)
Brechungsindex	1.6000 (estimate)
Flammpunkt	2 °C
storage temp.	2-8°C
Löslichkeit	ethanol: soluble
pka	3.29±0.10(Predicted)
Aggregatzustand	powder
Farbe	White to off-white
Biologische Quelle	Aspergillus ochraceus
Merck	13,6772
BRN	8169012
Major Application	cleaning products cosmetics food and beverages personal care
InChI	1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1
InChIKey	RWQKHEORZBHNRI-BMIGLBTASA-N
SMILES	C[C@@H]1Cc2c(Cl)cc(c(O)c2C(=O)O1)C(=O)N[C@@H](Cc3ccccc3)C(O)=O
IARC	2B (Vol. Sup 7, 56) 1993
EPA chemische Informationen	Ochratoxin A (303-47-9)

Sicherheit

Kennzeichnung gefährlicher	T+,T,Xn,F
R-Sätze:	45-46-61-26/27/28-36-20/21/22-11-40-28-39/23/24/25-23/24/25-65-48/23/24/25-36/38
S-Sätze:	53-22-36/37/39-45-36-26-16-36/37-28-62
RIDADR	UN 3462 6.1/PG 2
WGK Germany	3
RTECS-Nr.	AY4375000
F	10
HazardClass	6.1(a)
PackingGroup	I
HS Code	29322985
Speicherklasse	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2
Giftige Stoffe Daten	303-47-9(Hazardous Substances Data)
Toxizität	LD50 orally in rats: 20-22 mg/kg (Purchase, Theron)

Gefahreninformationscode (GHS)

OCHRATOXIN A Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R45:Kann Krebs erzeugen.
R46:Kann vererbbare Schäden verursachen.
R61:Kann das Kind im Mutterleib schädigen.
R26/27/28:Sehr giftig beim Einatmen, Verschlucken und Berührung mit der Haut.
R36:Reizt die Augen.
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
R11:Leichtentzündlich.
R40:Verdacht auf krebserzeugende Wirkung.
R28:Sehr giftig beim Verschlucken.
R39/23/24/25:Giftig: ernste Gefahr irreversiblen Schadens durch Einatmen, Berührung mit der Haut und durch Verschlucken.
R23/24/25:Giftig beim Einatmen, Verschlucken und Berührung mit der Haut.
R65:Gesundheitsschädlich: kann beim Verschlucken Lungenschäden verursachen.
R48/23/24/25:Giftig: Gefahr ernster Gesundheitsschäden bei längerer Exposition durch Einatmen, Berührung mit der Haut und durch Verschlucken.
R36/38:Reizt die Augen und die Haut.
S-Sätze Betriebsanweisung:
S53:Exposition vermeiden - vor Gebrauch besondere Anweisungen einholen.
S22:Staub nicht einatmen.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S16:Von Zündquellen fernhalten - Nicht rauchen.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S28:Bei Berührung mit der Haut sofort abwaschen mit viel . . . (vom Hersteller anzugeben).
S62:Bei Verschlucken kein Erbrechen herbeiführen. Sofort ärztlichen Rat einholen und Verpackung oder dieses Etikett vorzeigen.
Chemische Eigenschaften
White crystalline solid or powder.
Chemische Eigenschaften
white to off-white crystalline powder
Verwenden
Ochratoxin A is a chlorinated benzopyran coupled to phenylalanine, produced by several Aspergillus and Penicillium sp. associated with food spoilage. Ochratoxins are widely distributed in the environment and are known to be nephrotoxic, teratogenic and possibly carcinogenic. Ochratoxin A may act by inducing DNA strand breaks, sister chromatid exchanges, DNA adduct formation, or reactive oxygen but the mechanism of action as a toxin is not yet resolved. At the molecular level, ochratoxin A specifically inhibits NK cell activity, increases growth of transplantable tumour cells in mice, increases apoptosis, activates c-Jun N terminal kinase in human kidney epithelial cells, and blocks metaphase/anaphase transition. It also inhibits plasminogen activator inhibitor-2 production by human blood mononuclear cells.
Verwenden
A nephrotoxic mycotoxin inhibitor of phenylalanyl-tRNA synthetases.
Verwenden
Ochratoxins are toxic metabolites from Aspergillus orchraceus.
Definition
ChEBI: A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carb xylic acid. It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum.
Allgemeine Beschreibung
White crystalline powder.
Air & Water Reaktionen
Insoluble in water.
Reaktivität anzeigen
OCHRATOXIN A is incompatible with strong oxidizing agents, strong acids and strong bases. . OCHRATOXIN A is a carboxylic acid derivative. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt.
Hazard
Hepatotoxic, nephrotoxic, extremely toxic; possible carcinogen.
Brandgefahr
Flash point data for OCHRATOXIN A are not available; however, OCHRATOXIN A is probably combustible.
Biologische Aktivität
Mycotoxin that increases activity of the endoplasmic reticulum ATP-dependent calcium pump. Induces JNK activation and apoptosis in MDCK-C7 cells at nanomolar concentrations. Stimulates lipid peroxidation.
Sicherheitsprofil
Confirmed carcinogen with carcinogenic and neoplastigenic data. Poison by ingestion, intraperitoneal, intravenous, and subcutaneous routes. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cland NOx.
mögliche Exposition
Ochratoxin A, a carboxylic acid derivative and a naturally occurring toxic mold (strain of Aspergillus ochraceus), occasionally in storage grains such as wheat and on field crops such as corn and oilseed (i.e., cottonseed), in ancient tombs, and decayed vegetation. Used as a laboratory chemical for research. Not currently produced in the United States.
Carcinogenicity
Ochratoxin A is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.
Versand/Shipping
UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required. UN3462 Toxins, extracted from living sources, solid, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required.
Inkompatibilitäten
Ochratoxin A is Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fire. Keep away from alkaline materials, strong bases, strong acids, oxoacids, and epoxides. Compounds of the carboxyl group R.COOH Compounds of the carboxyl group react with all bases, both inorganic and organic (i.e.,amines) releasing substantial heat, water, and a salt that may be harmful. Incompatible with arsenic compounds (releases hydrogen cyanide gas), diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides (releasing heat, toxic, and possibly flammable gases), thiosulfates and dithionites (releasing hydrogen sulfate and oxides of sulfur).
Waste disposal
Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal. Under 40 CFR 261.5 small quantity generators of this waste may qualify for partial exclusion from hazardous waste regulations.

OCHRATOXIN A Upstream-Materialien And Downstream Produkte

303-47-9, OCHRATOXIN A Verwandte Suche:

Send Inquriy