Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 07:00:33 UTC |
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Updated at | 2021-07-15 17:37:08 UTC |
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NP-MRD ID | NP0021734 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Acrylamidine |
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Provided By | NPAtlas |
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Description | Acrylamidine belongs to the class of organic compounds known as carboxamidines. These are carboxylic acid derivatives containing the amidine group. Acrylamidine is found in Streptomyces sp. It was first documented in 1968 (PMID: 5751268). Based on a literature review very few articles have been published on acrylamidine (PMID: 28783355) (PMID: 23642149) (PMID: 16307887) (PMID: 15493957). |
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Structure | [H]N=C(N([H])[H])C([H])=C([H])[H] InChI=1S/C3H6N2/c1-2-3(4)5/h2H,1H2,(H3,4,5) |
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Synonyms | Not Available |
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Chemical Formula | C3H6N2 |
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Average Mass | 70.0950 Da |
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Monoisotopic Mass | 70.05310 Da |
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IUPAC Name | prop-2-enimidamide |
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Traditional Name | prop-2-enimidamide |
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CAS Registry Number | Not Available |
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SMILES | NC(=N)C=C |
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InChI Identifier | InChI=1S/C3H6N2/c1-2-3(4)5/h2H,1H2,(H3,4,5) |
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InChI Key | AXPUQAAUHKSVKR-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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Species Where Detected | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as carboxamidines. These are carboxylic acid derivatives containing the amidine group. |
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Kingdom | Organic compounds |
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Super Class | Organic nitrogen compounds |
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Class | Organonitrogen compounds |
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Sub Class | Amidines |
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Direct Parent | Carboxamidines |
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Alternative Parents | |
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Substituents | - Carboximidamide
- Carboxylic acid amidine
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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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 | - Yagishita K, Utahara R, Maeda K, Hamada M, Umezawa H: Acrylamidine, an anti-fungal substance produced by a Streptomyces. J Antibiot (Tokyo). 1968 Jul;21(7):444-50. doi: 10.7164/antibiotics.21.444. [PubMed:5751268 ]
- Prasad SS, Senthilkumar S, Srivastava A, Baskaran S: Iminosugar C-Nitromethyl Glycosides and Divergent Synthesis of Bicyclic Iminosugars. Org Lett. 2017 Aug 18;19(16):4403-4406. doi: 10.1021/acs.orglett.7b02175. Epub 2017 Aug 7. [PubMed:28783355 ]
- Yan X, Liao J, Lu Y, Liu J, Zeng Y, Cai Q: Pd-catalyzed one-pot synthesis of polysubstituted acrylamidines from isocyanides, diazo compounds, and imines. Org Lett. 2013 May 17;15(10):2478-81. doi: 10.1021/ol4009552. Epub 2013 May 3. [PubMed:23642149 ]
- Thominiaux C, de Bruin B, Bramoulle Y, Hinnen F, Demphel S, Valette H, Bottlaender M, Besret L, Kassiou M, Dolle F: Radiosynthesis of (E)-N-(2-[11C]methoxybenzyl)-3-phenyl-acrylamidine, a novel subnanomolar NR2B subtype-selective NMDA receptor antagonist. Appl Radiat Isot. 2006 Mar;64(3):348-54. doi: 10.1016/j.apradiso.2005.08.005. Epub 2005 Nov 22. [PubMed:16307887 ]
- Celewicz L, Mayer M, Shetlar MD: The photochemistry of thymidylyl-(3'-5')-5-methyl-2'-deoxycytidine in aqueous solution. Photochem Photobiol. 2005 Mar-Apr;81(2):404-18. doi: 10.1562/2004-06-15-ra-201.1. [PubMed:15493957 ]
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