For research use only. Not for therapeutic Use.
KSC-34, a covalent modifier of protein disulfide isomerase A1 (PDIA1), is also a selective and potent a-site inhibitor of PDIA1 with an IC50 of 3.5 μM. KSC-34 displays a 30-fold selectivity for a domain over a′ domain and displays high selectivity for PDIA1 in complex proteomes with minimal engagement of other members of the PDI family[1]. KSC-34 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
KSC-34 is selective for PDIA1 over other members of the PDI family, and other cellular cysteine-containing proteins. KSC-34 contains a (4-phenylbutyl)methylamine diversity element for optimized binding to the active site of the a domain of PDIA1 with a chloroacetamide electrophile for covalent modification of C53 on PDIA1[1].
| Catalog Number | I014814 |
| CAS Number | 2226201-97-2 |
| Synonyms | 2-chloro-N-[2-[[4-[methyl(4-phenylbutyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide |
| Molecular Formula | C21H28ClN7O |
| Purity | ≥95% |
| InChI | InChI=1S/C21H28ClN7O/c1-3-12-24-19-26-20(25-14-13-23-18(30)16-22)28-21(27-19)29(2)15-8-7-11-17-9-5-4-6-10-17/h1,4-6,9-10H,7-8,11-16H2,2H3,(H,23,30)(H2,24,25,26,27,28) |
| InChIKey | QBGDVCZDAPRIMJ-UHFFFAOYSA-N |
| SMILES | CN(CCCCC1=CC=CC=C1)C2=NC(=NC(=N2)NCC#C)NCCNC(=O)CCl |
| Reference | [1]. Cole KS, et al. Characterization of an A-Site Selective Protein Disulfide Isomerase A1 Inhibitor. Biochemistry. 2018;57(13):2035-2043. |
