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.

Product information

CAS Number: 2226201-97-2

Molecular Weight: 429.95

Formula: C21H28ClN7O

Chemical Name: 2-chloro-N-[2-({4-[methyl(4-phenylbutyl)amino]-6-[(prop-2-yn-1-yl)amino]-1,3,5-triazin-2-yl}amino)ethyl]acetamide

Smiles: CN(CCCCC1C=CC=CC=1)C1=NC(NCCNC(=O)CCl)=NC(NCC#C)=N1

InChiKey: QBGDVCZDAPRIMJ-UHFFFAOYSA-N

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)

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 100 mg/mL (232.59 mM; Need ultrasonic).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

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.

Products are for research use only. Not for human use.