Description
CM121 is an active site-directed reversible ALDH1A2 inhibitor (IC50=0.54 μM;Kd=1.1 μM) with a variety of hydrophobic interactions.
Product information
CAS Number: 2204230-40-8
Molecular Weight: 460.48
Formula: C24H17FN4O3S
Chemical Name: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methanesulfonylphenyl)-1H-pyrazole-4-carboxamide
Smiles: CS(=O)(=O)C1C=CC(=CC=1)C1=NN(C=C1C(=O)NC1=CC(F)=CC=C1)C1C=CC(=CC=1)C#N
InChiKey: ZUWUBCCXJATTTE-UHFFFAOYSA-N
InChi: InChI=1S/C24H17FN4O3S/c1-33(31,32)21-11-7-17(8-12-21)23-22(24(30)27-19-4-2-3-18(25)13-19)15-29(28-23)20-9-5-16(14-26)6-10-20/h2-13,15H,1H3,(H,27,30)
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
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:
CM121 interacts with the main-chain amides of Cys320 and Thr321 and the side-chains of Thr321 and Asn187 via methylsulfonyl oxygen. CM121 establishes π-π stacking with the side chains of PHE188 and PHE314 through methylsulfonyl benzene and benzylonitrile rings.
Products are for research use only. Not for human use.
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