Dimethyladipate is a diester of adipic acid. It is a colorless liquid with a faint odor. It is used as a plasticizer, a solvent, and an intermediate in the synthesis of other chemicals. Dimethyladipate can be synthesized by the esterification of adipic acid with methanol. The reaction is typically carried out in the presence of an acid catalyst, such as sulfuric acid. Dimethyladipate is a relatively non-toxic compound. However, it can cause irritation to the skin, eyes, and respiratory tract. It is important to handle dimethyladipate with care and to wear appropriate protective gear. Dimethyladipate is studied for its potential use in a variety of applications, including the production of polymers, pharmaceuticals, and cosmetics. It is also being investigated for its potential use as a biofuel.'
| ID Source | ID |
|---|---|
| PubMed CID | 12329 |
| CHEMBL ID | 1566491 |
| CHEBI ID | 34715 |
| SCHEMBL ID | 14975 |
| MeSH ID | M0184638 |
| Synonym |
|---|
| BIDD:ER0590 |
| ec 211-020-6 |
| hexanedioic acid, 1,6-dimethyl ester |
| 4-02-00-01959 (beilstein handbook reference) |
| unii-by71rx0r62 |
| by71rx0r62 , |
| dimethyl adipate |
| nsc11213 |
| 627-93-0 |
| nsc-11213 |
| dimethyl hexanedioate |
| hexanedioic acid, dimethyl ester |
| adipic acid, dimethyl ester |
| 1,6-dimethylhexanedioate |
| inchi=1/c8h14o4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6h2,1-2h |
| hexanedioic acid,dimethyl ester adipic acid,dimethyl ester |
| NCGC00091471-01 |
| dbe 6 |
| adipic acid dimethyl ester |
| dimethyladipate |
| ai3-00668 |
| nsc 11213 |
| einecs 211-020-6 |
| methyl adipate (van) |
| brn 1707443 |
| hsdb 5021 |
| dimethyl adipate, 98% |
| dimethyl adipate, >=99% |
| NCGC00164433-01 |
| NCGC00091471-02 |
| smr000568478 |
| MLS001065612 |
| A0166 |
| AKOS000120030 |
| NCGC00091471-03 |
| NCGC00091471-04 |
| hexanedioic acid dimethyl ester |
| HMS3039K04 |
| tox21_300363 |
| cas-627-93-0 |
| dtxsid8025096 , |
| NCGC00254458-01 |
| NCGC00259461-01 |
| tox21_201912 |
| dtxcid605096 |
| BBL011467 |
| STL146579 |
| FT-0621919 |
| hexanedioic acid, dimethyl ester [hsdb] |
| dimethyl adipate [inci] |
| fema no. 4472 |
| adipinic acid dimethyl ester |
| SCHEMBL14975 |
| dimethyl ester of hexanedioic acid |
| CHEMBL1566491 |
| CHEBI:34715 , |
| J-660024 |
| 1,6-dimethyl hexanedioate |
| mfcd00008469 |
| adipic acid-dimethyl ester |
| dimethyl adipate; >99% |
| dimethyl 1,6-hexanedioate |
| F0001-1687 |
| ?dimethyl adipate |
| 52089-64-2 |
| 55724-08-8 |
| Q21994864 |
| EN300-19861 |
| dimethyl hexanedioate--d4 |
| Z104475818 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " The results of this study support the hypothesis that DBE and potentially other inhaled organic esters induce nasal toxicity via a common mechanism, carboxylesterase-mediated production of toxic acid metabolites." | ( A microscopic and ultrastructural evaluation of dibasic esters (DBE) toxicity in rat nasal explants. Bogdanffy, MS; Frame, SR; Trela, BA, 1992) | 0.28 |
| Class | Description |
|---|---|
| fatty acid methyl ester | A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with methanol. |
| [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) |
|---|---|---|---|---|---|---|---|
| Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 9.4662 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
| glucocorticoid receptor [Homo sapiens] | Homo sapiens (human) | Potency | 6.3096 | 0.0002 | 14.3764 | 60.0339 | AID588532 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 41.4613 | 0.0002 | 29.3054 | 16,493.5996 | AID743075; AID743079 |
| nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 61.5038 | 0.0006 | 27.2152 | 1,122.0200 | AID743202; AID743219 |
| geminin | Homo sapiens (human) | Potency | 0.4611 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
| Cellular tumor antigen p53 | Homo sapiens (human) | Potency | 0.0016 | 0.0023 | 19.5956 | 74.0614 | AID651743 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| [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 | 3 (23.08) | 18.2507 |
| 2000's | 3 (23.08) | 29.6817 |
| 2010's | 5 (38.46) | 24.3611 |
| 2020's | 2 (15.38) | 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 strong demand-to-supply ratio for research on this compound.
| This Compound (41.55) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (6.67%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 14 (93.33%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||