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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I610917-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $1,334.90 | |
I610917-25mg | 25mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $2,000.90 |
Synonyms | compound 8a;XPZ-01 |
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Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of cathepsin C |
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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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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IUPAC Name | (2S)-2-amino-N-[(1R,2R)-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]butanamide |
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INCHI | InChI=1S/C25H31N5O3S/c1-3-23(27)24(31)28-25(17-26)16-22(25)20-6-4-18(5-7-20)19-8-10-21(11-9-19)34(32,33)30-14-12-29(2)13-15-30/h4-11,22-23H,3,12-16,27H2,1-2H3,(H,28,31)/t22-,23+,25+/m1/s1 |
InChi Key | LJIOTBMDLVHTBO-CUYJMHBOSA-N |
Canonical SMILES | CC[C@@H](C(=O)N[C@]1(C#N)C[C@@H]1c1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)N |
Isomeric SMILES | CC[C@@H](C(=O)N[C@@]1(C[C@@H]1C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C)C#N)N |
PubChem CID | 66550979 |
PubChem CID | 66550979 |
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Enter Lot Number to search for COA:
1. Korkmaz B, Lesner A, Wysocka M, Gieldon A, Håkansson M, Gauthier F, Logan DT, Jenne DE, Lauritzen C, Pedersen J. (2019) Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.. Biochem Pharmacol, 164 (13): (349-367). [PMID:30978322] [10.1021/op500134e] |