Enpatoran (M5049) hydrochloride is a potent, orally active dual TLR7/8 inhibitor with IC50 of 11.1 and 24.1 nM, respectively, in HEK293 cells.

 

Brand: BCM

 

Target: Toll-like Receptor (TLR)

 

Chirality:  Confirmed by Chiral intermediate

 

In Vitro: Enpatoran hydrochloride (0.01 nM-10 μM) inhibits production of IL-6 stimulated by all the ligands (miR-122, Let7c RNA, Alu RNA, and R848) with IC50 values ranging from 35 to 45 nM

 

Solubility: Soluble in DMSO. Insoluble in Water; insoluble in Ethanol.

 

Isomeric SMILES: C1[C@@H](CN(C[C@@H]1N)C2=C3C=CC=NC3=C(C=C2)C#N)C(F)(F)F.Cl  

 

InChIKey: OHYZGHQWGHDMRP-ZVWHLABXSA-N  

 

InChI: InChI=1S/C16H15F3N4.ClH/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15;/h1-5,11-12H,6,8-9,21H2;1H/t11-,12+;/m0./s1

 

Attribute
[Chem Name]	5-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile;hydrochloride
[Synonym]	Enpatoran Hydrochloride; M5049 hydrochloride
[CAS No.]	2101945-93-9
[Formula]	C16H15F3N4.ClH
[Molecular]	356.77
[Form]	Light yellow to yellow solid powder
[Storage]	-20°C, sealed storage, away from moisture and light

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