Determine the necessary mass, volume, or concentration for preparing a solution.
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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SKU | Size | Availability | Price | Qty |
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B608867-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $700.90 | |
B608867-25mg | 25mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $2,000.90 |
Synonyms | compound 1 |
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Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of cathepsin D |
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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IUPAC Name | 2-bromo-N-[(2S,3S)-4-[2-(2,4-dichlorophenyl)ethyl-[3-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-[3-(phenoxy)phenyl]butan-2-yl]-4,5-dimethoxybenzamide |
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INCHI | InChI=1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38-/m0/s1 |
InChi Key | DQHKQRXAVNDAFY-UWXQCODUSA-N |
Canonical SMILES | COc1cc(Br)c(cc1OC)C(=O)N[C@H]([C@H](CN(C(=O)CCN1C(=O)c2c(C1=O)cccc2)CCc1ccc(cc1Cl)Cl)O)Cc1cccc(c1)Oc1ccccc1 |
Isomeric SMILES | COC1=C(C=C(C(=C1)C(=O)N[C@@H](CC2=CC(=CC=C2)OC3=CC=CC=C3)[C@H](CN(CCC4=C(C=C(C=C4)Cl)Cl)C(=O)CCN5C(=O)C6=CC=CC=C6C5=O)O)Br)OC |
PubChem CID | 9876120 |
PubChem CID | 9876120 |
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ChEMBL Ligand | CHEMBL81927 |
RCSB PDB Ligand | 2S1 |
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