N-(2,6-dichlorobenzoyl)-4-(2',6'-bismethoxyphenyl)phenylalanine: TR-14035 is the (L)-isomer; an antagonist of both alpha4beta1 and beta7 integrins; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 9912743 |
| CHEMBL ID | 91485 |
| SCHEMBL ID | 1222491 |
| MeSH ID | M0430391 |
| Synonym |
|---|
| tr-14035 |
| tr 14035 |
| (1,1'-biphenyl)-4-propanoic acid, alpha-((2,6-dichlorobenzoyl)amino)-2',6'-dimethoxy-, (alphas)- |
| sb683698 |
| (2s)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid |
| chembl91485 , |
| bdbm16801 |
| (2s)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid |
| 232271-19-1 |
| uw585pbd7s , |
| unii-uw585pbd7s |
| tr14035 |
| n-(2,6-dichlorobenzoyl)-4-(2',6'-bismethoxyphenyl)phenylalanine |
| (s)-2-(2,6-dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid |
| AKOS016008162 |
| n-(2,6-dichlorobenzoyl)-4-(2,6-dimethoxyphenyl)-l-phenylalanine |
| CS-1812 |
| HY-15770 |
| DRSJLVGDSNWQBI-SFHVURJKSA-N , |
| SCHEMBL1222491 |
| sb-683698 |
| mfcd09970400 |
| CS-W000631 |
| AS-74254 |
| (2s)-2-[(2,6-dichlorophenyl)formamido]-3-{2',6'-dimethoxy-[1,1'-biphenyl]-4-yl}propanoic acid |
| NCGC00390619-01 |
| [1,1'-biphenyl]-4-propanoic acid, alpha-[(2,6-dichlorobenzoyl)amino]-2',6'-dimethoxy-, (alphas)- |
| (?s)-?-[(2,6-dichlorobenzoyl)amino]-2',6'-dimethoxy[1,1'-biphenyl]-4-propanoic acid |
| mdk-1191 |
| A878303 |
| (1,1'-biphenyl)-4-propanoic acid, .alpha.-((2,6-dichlorobenzoyl)amino)-2',6'-dimethoxy-, (.alpha.s)- |
| (2s)-2-((2,6-dichlorobenzoyl)amino)-3-(4-(2,6-dimethoxyphenyl)phenyl)propanoic acid |
| DTXSID001026007 |
| (alphas)-alpha-[(2,6-dichlorobenzoyl)amino]-2',6'-dimethoxy[1,1'-biphenyl]-4-propanoic acid |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| G | Vesicular stomatitis virus | Potency | 13.4504 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Interferon beta | Homo sapiens (human) | Potency | 13.4504 | 0.0033 | 9.1582 | 39.8107 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 13.4504 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 13.4504 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 13.4504 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Integrin beta-1 | Homo sapiens (human) | IC50 (µMol) | 0.0798 | 0.0001 | 0.7252 | 8.0000 | AID1797561; AID217347; AID242815 |
| Integrin alpha-4 | Homo sapiens (human) | IC50 (µMol) | 0.0640 | 0.0001 | 0.2611 | 2.0000 | AID1797561; AID217347; AID220265; AID242815 |
| Integrin beta-7 | Homo sapiens (human) | IC50 (µMol) | 0.0863 | 0.0008 | 0.5923 | 2.0000 | AID1797561; AID220265 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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. |
| AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| 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. |
| AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID242815 | Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) expressing chinese hamster ovary (CHO) cells | 2005 | Bioorganic & medicinal chemistry letters, Jan-03, Volume: 15, Issue:1 | 2,3-Diphenylpropionic acids as potent VLA-4 antagonists. |
| AID292684 | Inhibition of VCAM binding to integrin alpha4beta1 by human whole blood assay | 2007 | Bioorganic & medicinal chemistry letters, Jan-01, Volume: 17, Issue:1 | 2,6-Quinolinyl derivatives as potent VLA-4 antagonists. |
| AID237719 | Solubility in water was determined | 2005 | Bioorganic & medicinal chemistry letters, Jan-03, Volume: 15, Issue:1 | 2,3-Diphenylpropionic acids as potent VLA-4 antagonists. |
| AID217347 | Antagonistic activity against VLA-4 integrin of human jurkat cells using [125I]VCAM-Ig as radioligand | 2001 | Bioorganic & medicinal chemistry letters, Oct-22, Volume: 11, Issue:20 | The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. |
| AID220265 | Inhibition of [125I]MAdCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cells | 2001 | Bioorganic & medicinal chemistry letters, Oct-22, Volume: 11, Issue:20 | The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. |
| AID292681 | Inhibition of human recombinant VACM1 binding to VAL4 expressed in U937 cells by adhesion test | 2007 | Bioorganic & medicinal chemistry letters, Jan-01, Volume: 17, Issue:1 | 2,6-Quinolinyl derivatives as potent VLA-4 antagonists. |
| AID292683 | Inhibition of T cell activation assessed as CD3-VACM interaction | 2007 | Bioorganic & medicinal chemistry letters, Jan-01, Volume: 17, Issue:1 | 2,6-Quinolinyl derivatives as potent VLA-4 antagonists. |
| AID1797561 | Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1021/jm060031q: \\Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.\\ | 2006 | Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11 | Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists. |
| [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 | 12 (75.00) | 29.6817 |
| 2010's | 1 (6.25) | 24.3611 |
| 2020's | 3 (18.75) | 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 (11.59) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (6.25%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 15 (93.75%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||