CAS Number4825-86-9
SynonymsOCHRATOXIN B; Ochratoxin B solution; ochratoxin A; N-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]-carbonyl}-L-phenylalanine; N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine; Alanine,N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-,(-); N-{[(3R)-8-hydroxy-3-methyl-1-oxo-7-isochromanyl]carbonyl}-3-phenyl-L-alanine; (R)-N-[(3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carboxyl]phenylalanine; L-Phenylalanine,N-((3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-,(R); Ochratoxin B(OTB)
Molecular FormulaC20H19NO6
Molecular Weight369.37
Density1.4±0.1 g/cm3
Boiling Point632.4±55.0 °C at 760 mmHg
Melting Point221ºC
EINECS200-835-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4825-86-9 |
| Catalog No. | 2A-1177736 |
| Chinese Name | 赭曲霉素 |
| Synonyms | OCHRATOXIN B; Ochratoxin B solution; ochratoxin A; N-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]-carbonyl}-L-phenylalanine; N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine; Alanine,N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-,(-); N-{[(3R)-8-hydroxy-3-methyl-1-oxo-7-isochromanyl]carbonyl}-3-phenyl-L-alanine; (R)-N-[(3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carboxyl]phenylalanine; L-Phenylalanine,N-((3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-,(R); Ochratoxin B(OTB) |
| Molecular Formula | C20H19NO6 |
| Molecular Weight | 369.37 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 632.4±55.0 °C at 760 mmHg |
| Melting Point | 221ºC |
| Storage Condition | The warehouse is low-temperature, ventilated, dry, |
| Packaging | I |
| Application | Ochratoxin B is a secondary metabolite of Aspergillus ochraceus and a non-chlorinated analog of the mycotoxin Ochratoxin A. Ochratoxin B has been shown to reduce the toxic effects of ochratoxin A, one |
| EINECS | 200-835-2 |
| HTC | 39229000 |
| PubChem ID | 329754192 |
| MDL Number | MFCD00133680 |
| SMILES | C[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(O)c2C(=O)O1 |
| InChI | 1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1 |
| InChI Key | DAEYIVCTQUFNTM-ABAIWWIYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 85151701 |
| Hazard Symbols | 6.1(a) |
| MSDS | msds/178322_2_4825_86_9.pdf |
| Bioactivity | Ochratoxin B, a secondary metabolite of Aspergillus ochraceus, is the nonchlorinated analogue of the mycotoxin Ochratoxin A. Ochratoxin B has been shown to reduce the toxic effects of Ochratoxin A, and it is one of the most potent renal carcinogens in rodents[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Others >> Others References [1]. Mally A, et al. Biotransformation and nephrotoxicity of ochratoxin B in rats. Toxicol Appl Pharmacol. 2005 Aug 1;206(1):43-53. [2]. Størmer FC, et al. Metabolism of ochratoxin B and its possible effects upon the metabolism and toxicity of ochratoxin A in rats. Appl Environ Microbiol. 1985 May;49(5):1108-12. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 632.4±55.0 °C at 760 mmHg Melting Point 221ºC Molecular Formula C20H19NO6 Molecular Weight 369.368 Flash Point 336.2±31.5 °C Exact Mass 369.121246 PSA 112.93000 LogP 3.06 Vapour Pressure 0.0±2.0 mmHg at 25°C Index of Refraction 1.623 InChIKey DAEYIVCTQUFNTM-ABAIWWIYSA-N SMILES CC1Cc2ccc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 |
| Use of | Ochratoxin B, a secondary metabolite of Aspergillus ochraceus, is the nonchlorinated analogue of the mycotoxin Ochratoxin A. Ochratoxin B has been shown to reduce the toxic effects of Ochratoxin A, and it is one of the most potent renal carcinogens in rodents[1][2]. Properties Articles29 Name (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid Synonym More Synonyms Ochratoxin B Biological Activity Description Ochratoxin B, a secondary metabolite of Aspergillus ochraceus, is the nonchlorinated analogue of the mycotoxin Ochratoxin A. Ochratoxin B has been shown to reduce the toxic effects of Ochratoxin A, and it is one of the most potent renal carcinogens in rodents[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Others >> Others References [1]. Mally A, et al. Biotransformation and nephrotoxicity of ochratoxin B in rats. Toxicol Appl Pharmacol. 2005 Aug 1;206(1):43-53. [2]. Størmer FC, et al. Metabolism of ochratoxin B and its possible effects upon the metabolism and toxicity of ochratoxin A in rats. Appl Environ Microbiol. 1985 May;49(5):1108-12. Chemical & Physical Properties Molecular Formula C20H19NO6 Exact Mass 369.121246 PSA 112.93000 Index of Refraction 1.623 InChIKey DAEYIVCTQUFNTM-ABAIWWIYSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1648 International Maritime Transport Danger Regulations: 1648 International Air Transport Danger Regulations: 1648 14.2 United Nations shipping name European land transport hazard code: ACETONITRILE, solution IMDG Code: ACETONITRILE, solution IMDG: Acetonitrile, solution 14.3 Transport hazard categories European land transport Dangerous Regulations: 3 International sea transport Dangerous Regulations: 3 International air transport Dangerous Regulations: 3 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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