beta-aminopropionitrile hemifumarate : A fumarate salt prepared from beta-aminopropionitrile by reaction of one molecule of fumaric acid for every two molecules of beta-aminopropionitrile. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 5462653 |
| CHEMBL ID | 1315165 |
| CHEBI ID | 91084 |
| MeSH ID | M0317176 |
| Synonym |
|---|
| 2079-89-2 |
| LS-13844 |
| unii-1o0893poyk |
| 1o0893poyk , |
| EU-0100055 |
| 3-aminopropionitrile fumarate salt, metabolite |
| einecs 218-208-7 |
| di-beta-aminopropionitrile fumarate |
| propanenitrile, 3-amino-, (2e)-2-butenedioate (2:1) |
| beta-aminopropionitrile, fumarate |
| bapn fumarate |
| bis(3-aminopropiononitrile) fumarate |
| 3-aminopropionitrile, fumarate |
| propionitrile, 3-amino-, fumarate (2:1) |
| NCGC00093569-01 |
| A 3134 |
| A0796 |
| AKOS004910334 |
| HMS3260K11 |
| dtxcid801476014 |
| dtxsid0045751 , |
| tox21_111209 |
| cas-2079-89-2 |
| CCG-204150 |
| LP00055 |
| .beta.-aminopropionitrile fumarate |
| .beta.-ammoniumpropionitrile hemifumarate |
| fumaric acid, salt with 3-aminopropionitrile |
| propanenitrile, 3-amino-, (e)-2-butenedioate (2:1) |
| di-.beta.-aminopropionitrile fumarate |
| S5340 , |
| tox21_500055 |
| NCGC00260740-01 |
| beta-aminopropionitrile hemifumarate |
| CHEBI:91084 |
| 2-cyanoethylamine hemifumarate |
| bis(2-cyanoethan-1-aminium) (2e)-but-2-enedioate |
| bis(3-aminopropionitrile) fumarate |
| 3-aminopropanenitrile hemifumarate |
| CHEMBL1315165 |
| b-aminopropionitrile fumarate |
| b-ammoniumpropionitrile hemifumarate |
| di-b-aminopropionitrile fumarate |
| 3-aminopropionitrile fumarate 2:1 |
| (2e)-but-2-enedioic acid; bis(3-aminopropanenitrile) |
| AS-68735 |
| 3-aminopropionitrile fumarate salt |
| J-013637 |
| SR-01000076248-1 |
| sr-01000076248 |
| CS-0030705 |
| 3-aminopropionitrile fumarate (2:1) |
| HY-107829 |
| Q27163052 |
| 3-aminopropanenitrilehemifumarate |
| 3-aminopropanenitrile;but-2-enedioic acid |
| A879421 |
| di--aminopropionitrile fumarate; -aminopropionitrile fumarate; -ammoniumpropionitrile hemifumarate |
| Excerpt | Reference | Relevance |
|---|---|---|
| "The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs." | ( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019) | 0.51 |
| Role | Description |
|---|---|
| antineoplastic agent | A substance that inhibits or prevents the proliferation of neoplasms. |
| antirheumatic drug | A drug used to treat rheumatoid arthritis. |
| collagen cross-linking inhibitor | Any compound that inhibits collagen cross-linking. |
| plant metabolite | Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| fumarate salt | An organic salt derived from fumaric acid. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| phosphopantetheinyl transferase | Bacillus subtilis | Potency | 79.4328 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
| Cellular tumor antigen p53 | Homo sapiens (human) | Potency | 7.4978 | 0.0023 | 19.5956 | 74.0614 | AID651631 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID504749 | qHTS profiling for inhibitors of Plasmodium falciparum proliferation | 2011 | Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043 | Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets. |
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 0 (0.00) | 29.6817 |
| 2010's | 3 (60.00) | 24.3611 |
| 2020's | 2 (40.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.72) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||