Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 22:51:46 UTC |
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Updated at | 2021-07-15 17:14:43 UTC |
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NP-MRD ID | NP0013527 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Anithiactin B |
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Provided By | NPAtlas |
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Description | Anithiactin B is found in Streptomyces sp. It was first documented in 2014 (PMID: 25455147). Based on a literature review very few articles have been published on 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboximidic acid (PMID: 32726955) (PMID: 31527522) (PMID: 31136157) (PMID: 31002701). |
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Structure | [H]N([H])C(=O)C1=C([H])SC(=N1)C1=C([H])C([H])=C([H])C([H])=C1N([H])C([H])([H])[H] InChI=1S/C11H11N3OS/c1-13-8-5-3-2-4-7(8)11-14-9(6-16-11)10(12)15/h2-6,13H,1H3,(H2,12,15) |
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Synonyms | Value | Source |
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2-[2-(Methylamino)phenyl]-1,3-thiazole-4-carboximidate | Generator | Anithiactin b | MeSH |
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Chemical Formula | C11H11N3OS |
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Average Mass | 233.2900 Da |
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Monoisotopic Mass | 233.06228 Da |
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IUPAC Name | 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxamide |
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Traditional Name | 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxamide |
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CAS Registry Number | Not Available |
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SMILES | CNC1=CC=CC=C1C1=NC(=CS1)C(N)=O |
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InChI Identifier | InChI=1S/C11H11N3OS/c1-13-8-5-3-2-4-7(8)11-14-9(6-16-11)10(12)15/h2-6,13H,1H3,(H2,12,15) |
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InChI Key | RVPMTHRVFPKEQL-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Kim H, Yang I, Patil RS, Kang S, Lee J, Choi H, Kim MS, Nam SJ, Kang H: Anithiactins A-C, modified 2-phenylthiazoles from a mudflat-derived Streptomyces sp. J Nat Prod. 2014 Dec 26;77(12):2716-9. doi: 10.1021/np500558b. Epub 2014 Dec 2. [PubMed:25455147 ]
- Khader R, Tharmalingam N, Mishra B, Felix L, Ausubel FM, Kelso MJ, Mylonakis E: Characterization of Five Novel Anti-MRSA Compounds Identified Using a Whole-Animal Caenorhabditis elegans/Galleria mellonella Sequential-Screening Approach. Antibiotics (Basel). 2020 Jul 27;9(8). pii: antibiotics9080449. doi: 10.3390/antibiotics9080449. [PubMed:32726955 ]
- Dimmito MP, Stefanucci A, Pieretti S, Minosi P, Dvoracsko S, Tomboly C, Zengin G, Mollica A: Discovery of Orexant and Anorexant Agents with Indazole Scaffold Endowed with Peripheral Antiedema Activity. Biomolecules. 2019 Sep 16;9(9). pii: biom9090492. doi: 10.3390/biom9090492. [PubMed:31527522 ]
- Tisler S, Zindler F, Freeling F, Nodler K, Toelgyesi L, Braunbeck T, Zwiener C: Transformation Products of Fluoxetine Formed by Photodegradation in Water and Biodegradation in Zebrafish Embryos ( Danio rerio). Environ Sci Technol. 2019 Jul 2;53(13):7400-7409. doi: 10.1021/acs.est.9b00789. Epub 2019 Jun 11. [PubMed:31136157 ]
- Reisdorf WC, Xie Q, Zeng X, Xie W, Rajpal N, Hoang B, Burgert ME, Kumar V, Hurle MR, Rajpal DK, O'Donnell S, MacDonald TT, Vossenkamper A, Wang L, Reilly M, Votta BJ, Sanchez Y, Agarwal P: Preclinical evaluation of EPHX2 inhibition as a novel treatment for inflammatory bowel disease. PLoS One. 2019 Apr 19;14(4):e0215033. doi: 10.1371/journal.pone.0215033. eCollection 2019. [PubMed:31002701 ]
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