Ensartinib hydrochloride is a dual ALK/MET inhibitor with IC50 <0.4 nM and 0.74 nM, respectively.

 

Brand: BCM

 

Target: ALK; Others; Trk receptor; c-Met/HGFR

 

Signaling Pathways: Angiogenesis; Others; Tyrosine Kinase/Adaptors

 

In Vitro: Ensartinib potently inhibits both wild-type ALK and all evaluated ALK variants (C1156Y, F1174, G1202R, L1196M, S1206R, and T1151 mutants) with in vitro IC50s of <4 nM. Besides ALK, ensartinib also potently inhibits GOPC-ROS1, TPM3-TRKA, and TRKC with an IC50 of <1 nM, and inhibits EphA1, EphA2, EphB1 and c-MET with an IC50 of 1-10 nM.

 

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

 

Isomeric SMILES: C[C@@H]1CN(C[C@@H](N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl)N.Cl.Cl  

 

InChIKey: IERUINQRGJAECT-ISUJJMBGSA-N  

 

InChI: InChI=1S/C26H27Cl2FN6O3.2ClH/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28;;/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36);2*1H/t13-,14+,15-;;/m1../s1

 

Attribute
[Chem Name]	6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;dihydrochloride
[Synonym]	Ensartinib hydrochloride; X-396 dihydrochloride
[CAS No.]	2137030-98-7
[MDL No.]	MFCD31657344
[Formula]	C26H29Cl4FN6O3
[Molecular]	634.36
[Form]	White solid
[Storage]	Sealed in dry. Stored at -20°C

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