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ChemicalBook--->CAS DataBase List--->303-47-9

303-47-9

303-47-9 Structure

303-47-9 Structure
IdentificationBack Directory
[Name]

OCHRATOXIN A
[CAS]

303-47-9
[Synonyms]

(-)-l
lanine
Phe-OTA
nci-c56586
NSC 201422
NSC 221991
OCHRATOXIN A
OCHRATOXIN A 99+%
bonyl]phenylalanine
3R,14S-Ochratoxin A
ochratoxin a solution
(r)-ran-7-yl)carbonyl)
phenylalanine-ochratoxina
OCHRATOXIN A BENZENE FREE
OCHRATOXIN A, ASPERGILLUS OCHRACEUS
Ochratoxin A from Aspergillus ochraceus
OCHRATOXIN A SOLUTION 10 UG/ML INMETHAN
Ochratoxin A in Acetonitril , Oekanal, 10 μg/ml
OCHRATOXIN A, 1X1ML, BEN/ACETIC ACID(99: 1), 50UG/ML
OCHRATOXIN A FROM ASPERGILLUS OCHRACEUS VIAL WITH 5 MG
Ochratoxin A-BSA conjugate from Aspergillus ochraceus
ochratoxin a from aspergillus ochraceus (aspergillus oryzae)
n-(((3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl
(-)-n-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyla
(r)-n-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl)car
alanine,n-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-pheny
l-phenylalanine,n-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopy
N-((5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)-3-PHENYLALANINE
N-[(3R)-(5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL]-L-PHENYLALANINE
Ochratoxin A,N-[(3R)-(5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-L-phenylalanine
(R)-N-[(5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL-L-PHENYLALANINE
N-[[(R)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine
N-[[(3R)-1-Oxo-3-methyl-5-chloro-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine
N-[[(3R)-5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL]CARBONYL]-L-PHENYLALANINE
(R)-N-[(5-Chloro-3,4-dihydro-8-hydroxy-3-Methyl-1- oxo-1H-benzo[c]pyran-7-yl)carbonyl]-3-phenylalanine
(R)-N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benz+D2321o[c]pyran-7-yl)carbonyl)-3-phenylalanine
N-[(3R)-(5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-L-phenylalanine, Ochratoxin A from Aspergillus ochraceus (Aspergillus oryzae)
[EINECS(EC#)]

206-143-7
[Molecular Formula]

C20H18ClNO6
[MDL Number]

MFCD00078079
[MOL File]

303-47-9.mol
[Molecular Weight]

403.81
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline powder
[Melting point ]

169°C
[alpha ]

D -118° (c = 1.1 in CHCl3)
[Boiling point ]

632.4±55.0 °C(Predicted)
[density ]

1.2459 (rough estimate)
[refractive index ]

1.6000 (estimate)
[Fp ]

2 °C
[storage temp. ]

2-8°C
[solubility ]

ethanol: soluble
[form ]

powder
[pka]

3.29±0.10(Predicted)
[color ]

White to off-white
[Merck ]

13,6772
[BRN ]

8169012
[IARC]

2B (Vol. Sup 7, 56) 1993
[EPA Substance Registry System]

Ochratoxin A (303-47-9)
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystalline powder
[Uses]

A nephrotoxic mycotoxin inhibitor of phenylalanyl-tRNA synthetases.
[Uses]

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 tumor 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.
[Uses]

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.
[Uses]

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.
[General Description]

White crystalline powder.
[Air & Water Reactions]

Insoluble in water.
[Reactivity Profile]

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.
[Fire Hazard]

Flash point data for OCHRATOXIN A are not available; however, OCHRATOXIN A is probably combustible.
[Hazard]

Hepatotoxic, nephrotoxic, extremely toxic; possible carcinogen.
[Biological Activity]

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.
[Potential Exposure]

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.
[First aid]

Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth methods if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device? Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In the case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Medical observation is recommended for 2448 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.
[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.
[Incompatibilities]

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.
[Carcinogenicity]

Ochratoxin A is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.
Safety DataBack Directory
[Hazard Codes ]

T+,T,Xn,F
[Risk Statements ]

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
[Safety Statements ]

53-22-36/37/39-45-36-26-16-36/37-28-62
[RIDADR ]

UN 3462 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

AY4375000
[F ]

10
[HazardClass ]

6.1(a)
[PackingGroup ]

I
[HS Code ]

29322985
[Safety Profile]

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.
[Hazardous Substances Data]

303-47-9(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 20-22 mg/kg (Purchase, Theron)
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