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SKU | Size | Availability | Price | Qty |
---|---|---|---|---|
P612868-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $2,062.90 | |
P612868-25mg | 25mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $7,216.90 |
Synonyms | (S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-4-(1H-tetrazol-5-yl)-butyric acid | (2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazo |
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Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of thymidylate synthetase |
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Thymidylate synthase inhibitor | INHIBITOR | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | ||
Thymidylate synthase inhibitor | INHIBITOR | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | DailyMed: [1] | |
Thymidylate synthase inhibitor | INHIBITOR | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | DailyMed: [1] | |
Thymidylate synthase inhibitor | INHIBITOR | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | DailyMed: [1] | |
Thymidylate synthase inhibitor | INHIBITOR | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | ||
Thymidylate synthase inhibitor | INHIBITOR | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | ||
Thymidylate synthase antagonist | ANTAGONIST | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | ||
Thymidylate synthase inhibitor | INHIBITOR | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | ||
Thymidylate synthase inhibitor | INHIBITOR | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | EMA: [1] | |
Thymidylate synthase inhibitor | INHIBITOR | ALA1952 | Thymidylate synthase | SINGLE PROTEIN | Homo sapiens | FDA: [1] |
IUPAC Name | (2S)-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid |
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INCHI | InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1 |
InChi Key | IEJSCSAMMLUINT-NRFANRHFSA-N |
Canonical SMILES | CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)NC(CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C |
Isomeric SMILES | CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)N[C@@H](CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C |
PubChem CID | 135430970 |
Molecular Weight | 532.53 |
1. Marsham PR, Wardleworth JM, Boyle FT, Hennequin LF, Kimbell R, Brown M, Jackman AL. (1999) Design and synthesis of potent non-polyglutamatable quinazoline antifolate thymidylate synthase inhibitors.. J Med Chem, 42 (19): (3809-20). [PMID:10508430] [10.1021/op500134e] |