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3,5-Dibromo-L-tyrosine - >96.0%(T), high purity , CAS No.300-38-9
Basic Description
| Synonyms | DBY | HY-W105101 | SMR000058595 | NCIStruc2_001476 | L-Tyrosine, 3,5-dibromo- | 3,5-DIBROMOTYROSINE | Q3706879 | HMS2234D11 | QD49LEP46E | Dibromotyrosine | .beta.-(3,5-Dibromo-4-hydroxyphenyl)alanine | UNII-QD49LEP46E | CCG-36649 | MFCD00037204 | MLS0000 |
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| Specifications & Purity | ≥96%(T) |
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| Shipped In | Normal |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 488183943 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183943 |
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| IUPAC Name | (2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid |
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| INCHI | InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 |
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| InChi Key | COESHZUDRKCEPA-ZETCQYMHSA-N |
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| Canonical SMILES | C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)N |
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| Isomeric SMILES | C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N |
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| PubChem CID | 67532 |
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| Molecular Weight | 338.98 |
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| Beilstein | 14(3)1561 |
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| Reaxy-Rn | 2944471 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Specific Rotation[α] | 0.8° (C=5,1mol/L HCl) |
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| Melt Point(°C) | 245 °C |
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| Molecular Weight | 338.980 g/mol |
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| XLogP3 | -0.400 |
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| Hydrogen Bond Donor Count | 3 |
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| Hydrogen Bond Acceptor Count | 4 |
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| Rotatable Bond Count | 3 |
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| Exact Mass | 338.893 Da |
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| Monoisotopic Mass | 336.895 Da |
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| Topological Polar Surface Area | 83.600 Ų |
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| Heavy Atom Count | 15 |
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| Formal Charge | 0 |
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| Complexity | 227.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 1 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
| Reaxy-Rn | 2944471 |
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| Merck Index | 3030 |
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G2031008