ARQ-531 is a potent and orally active BTK inhibitor with potential antineoplastic activity, with IC50s of 0.85 nM and 0.39 nM for WT-BTK and C481S-BTK, respectively.

 

Brand: BCM

 

Target Activity: WT-BTK:0.85 nM, C481S-BTK:0.39 nM

 

Solubility: Soluble in DMSO and Ethanol. Insoluble in Water.

 

GHS: GHS07

 

Isomeric SMILES: C1C[C@H](OC[C@@H]1NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)CO  

 

InChIKey: JSFCZQSJQXFJDS-QAPCUYQASA-N  

 

InChI: InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1

 

Attribute
[CAS No.]	2095393-15-8
[Formula]	C25H23ClN4O4
[Molecular]	478.93
[MDL No.]	MFCD31692379
[Form]	Solid powder
[Chem Name]	(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
[Synonym]	ARQ 531; Nemtabrutinib

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