CAS 303-47-9 MFCD00078079-Ochratoxin A Ochratoxin TAO{mole}

Ochratoxin A Ochratoxin

CAS 303-47-9 MFCD00078079

化学结构图

SMILES: C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1

化学属性

Mol. Formula	C20H18ClNO6
Mol. Weight	403.81
Density	1.425
Solubility	Soluble in chloroform (9.80 - 10.20 mg/ml), methanol (10 mg/ml), ethanol (50 mM), and DMSO (100 mM). Insoluble in water., Soluble in chloroform (9.80 - 10.20 mg/ml), methanol (10 mg/ml), ethanol (50 mM), and DMSO (100 mM). Insoluble in water.

别名和识别编码

Chemical Name	Ochratoxin A
CAS Number	303-47-9
Synonym	######## (-)-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)-3-phenyl-L-alanine N-[(3R)-(5-氯-8-羟基-3-甲基-1-氧代-7-苯并二氢异吡喃基)羰基]-L-苯丙氨酸 NCI-C56586 Ochratoxin A Phenylalanine - ochratoxin A ochratoxin A 赭曲毒素A 赭曲霉素 A 赭曲霉素 A 溶液
MDL Number	MFCD00078079
Beilstein Registry Number	1301486
EC Number	200-835-2
PubChem Substance ID	442530
Chemical Name Translation	Ochratoxin
Wiswesser Line Notation	T66 BVOT&J D1 GG IVMYVQ1R& JQ
LabNetwork Molecule ID	LN01302667
InChI	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

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

A nephrotoxic mycotoxin inhibitor of phenylalanyl-tRNA synthetases.

安全信息

RTECSAY4375000

GHS Symbol

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P263 Avoid contact during pregnancy/while nursing. 怀孕/哺乳期间避免接触。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P273 Avoid release to the environment. 避免释放到环境中。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P301+P310
P302+P350
P304+P340
P305+P351+P338
P308+P313
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P337+P313
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
H300 Fatal if swallowed 吞食致命
H302 Harmful if swallowed 吞食有害
H312 Harmful in contact with skin 皮肤接触有害
H319 Causes serious eye irritation 严重刺激眼睛
H330 Fatal if inhaled 吸入致命
H332 Harmful if inhaled 吸入有害
H351 Suspected of causing cancer 怀疑致癌
H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
H362 May cause harm to breast-fed children 可能对母乳喂养的婴儿造成伤害
H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。

WGK Germany3

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Signal word Danger

Hazard Codes F,Xn T+

Safety Statements

S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S22 Do not breathe dust 不要吸入粉尘；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；

Risk Statements

R46 May cause inheritable genetic damage 可能引起遗传基因损害
R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
R45 May cause cancer 可能致癌
R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有剧毒
R11 Highly flammable 非常易燃
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
R36 Irritating to eyes 刺激眼睛
R28 Very toxic if swallowed 吞咽极毒
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用

Storage condition 储存温度:2-8℃ 储存温度2-8°C

Restrict 剧毒化学品

Warnings 危化品目录(2015) 危险化学品

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3504 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 75,733,1985

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg/30W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year:
   31(Suppl),206,1986

TYPE OF TEST            : TD - Toxic

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 36050 ug/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-358,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2216 mg/kg/44W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  V

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - quail
DOSE/DURATION           : 16500 ug/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   POSCAL Poultry Science.  (Poultry Science Assoc., Inc., 309 W. Clark St.,
   Champaign, IL 61820) V.1-    1921-  Volume(issue)/page/year: 55,786,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - duck
DOSE/DURATION           : 500 ug/kg
TOXIC EFFECTS :
   Liver - fatty liver degeneration
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 205,1112,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 12750 ug/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Gastrointestinal - ulceration or bleeding from stomach
   Skin and Appendages - hair
REFERENCE :
   ARCVBP Annales Recherches Veterinaires.  (Institut National de la Recherche
   Agronomique, Service des Publ., Route de Saint-Cyr, 78000 Versailles,
   France)  V.1-    1970-  Volume(

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - turkey
DOSE/DURATION           : 5900 ug/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   POSCAL Poultry Science.  (Poultry S

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - mouse Cells - not otherwise specified
DOSE/DURATION           : 1 mg/L
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Mammal - species unspecified Kidney
DOSE/DURATION           : 50 umol/L
REFERENCE :
   TOXIA6 Toxicon.  (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW,
   UK)  V.1-    1962-  Volume(issue)/page/year: (Suppl 3),353,1983

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 2500 ug/kg
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 28,29,1985

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 200 mg/L
REFERENCE :
   FOBLAN Folia Biologica (Prague).  (Academic Press Inc. Ltd., 24-28 Oval Rd.,
   London NW1 7DX, UK) V.1-    1955-  Volume(issue)/page/year: 32,128,1986

TYPE OF TEST            : DNA adduct
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 2500 ug/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 289,265,1993

TYPE OF TEST            : Mut

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 10080 ug/kg/12W (Intermittent)
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year:
   31(Suppl)

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 8 mg/kg
SEX/DURATION            : female 7-10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 28,37A,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1 mg/kg
SEX/DURATION            : female 11-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 28,16A,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 3 mg/kg
SEX/DURATION            : female 15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - cytological changes (including
   somatic cell genetic material)
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   57,127,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperi

其他信息

Ochratoxin A is a mycotoxin isolated from the Aspergillus ochraceus mold, a common fungal presence on moldy food. Ochratoxin A demonstrates nephrotoxicity and teratogenesis in animals, and shows inhibition of bacterial, yeast, and liver FARSL (phenylalanyl-tRNA synthetases) competitive with phenylalanine. As these activities are partially attenuated by phenylalanine, Ochratoxin A is suggested to produce its effects through interacting with proteins that recognize phenylalanine as a substrate, and has been demonstrated to inhibit PAH (phenylalanine hydroxylase). Derivatives of Ochratoxin A with other amino acid moieties substituted for the phenylalanine-mimic portion of the molecule demonstrate inhibition of the aminoacyl tRNA synthetases respective to those amino acids. Ochratoxin A is described to enhance lipid peroxidation and also present DNA single strand breaks, both suggesting oxidative damage as a partial mediator of Ochratoxin A cellular effects, and EPR spectroscopy with a spin trap agent identified the production of hydroxyl radicals by Ochratoxin A in the presence of NADPH. The nephrotoxic effects of Ochratoxin A are shown to be prevented by SOD (superoxide dismutase) and catalase, further indicating oxidative damage as the mediator of Ochratoxin A toxicity. Ochratoxin A is also demonstrated to increase ATP-dependent Ca2+ pump activity in renal cortex endoplasmic reticulum.