MS4078 is an inhibitor of ALK and a PROTAC(depressant). MS4078 decreased the level of NPM-ALK protein in SU-DHL-1 cells and EML4-ALK protein in NCI-H2228 cells, corresponding to DC50 values of 11 nM and 59 nM, respectively. MS4078 can induce ALK protein degradation through cereblon and proteasome-dependent mechanisms, and effectively inhibit the proliferation of SU-DHL-1 cells with an IC50 value of 33 nM.

 

Brand: BCM

 

Target: ALK; Ligand for E3 Ligase

 

Signaling Pathways: Angiogenesis; PROTAC; Tyrosine Kinase/Adaptors

 

pKa: 10.74±0.40(Predicted)

 

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

 

GHS: GHS07

 

Isomeric SMILES: CC1=CC(=C(C=C1C2CCN(CC2)CC(=O)NCCNC3=CC=CC4=C3C(=O)N(C4=O)C5CCC(=O)NC5=O)OC(C)C)NC6=NC=C(C(=N6)NC7=CC=CC=C7S(=O)(=O)C(C)C)Cl  

 

InChIKey: AYMGZLUKTNXEMY-UHFFFAOYSA-N  

 

InChI: InChI=1S/C45H52ClN9O8S/c1-25(2)63-36-22-30(27(5)21-34(36)51-45-49-23-31(46)41(53-45)50-32-10-6-7-12-37(32)64(61,62)26(3)4)28-15-19-54(20-16-28)24-39(57)48-18-17-47-33-11-8-9-29-40(33)44(60)55(43(29)59)35-13-14-38(56)52-42(35)58/h6-12,21-23,25-26,28,35,47H,13-20,24H2,1-5H3,(H,48,57)(H,52,56,58)(H2,49,50,51,53)

 

Attribute
[Chem Name]	2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]acetamide
[Synonym]	MS4078; MS-4078
[CAS No.]	2229036-62-6
[MDL No.]	MFCD31812728
[Formula]	C45H52ClN9O8S
[Molecular]	914.47
[Form]	Solid Powder
[Storage]	Keep in dark place. Inert atmosphere. Room temperature

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