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Chemical structure of MS4078

GC64966

MS4078

Also known as 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

MS4078 is an anaplastic lymphoma kinase (ALK) PROTAC (degrader) based on Cereblon ligand, with a Kd of 19?nM for binding affinity to ALK

ChemicalCAS2229036-62-6MW914.47FormulaC45H52ClN9O8S
CAS number
2229036-62-6
Molecular weight
914.47
Formula
C45H52ClN9O8S
Solubility
DMSO ： 50 mg/mL (54·68 mM; Need ultrasonic)
InChIKey
AYMGZLUKTNXEMY-UHFFFAOYSA-N
Catalogue number
GC64966
Brand
GLPBIO
Computed properties PubChem CID 137628668 · XLogP 6.7 · TPSA 230 Ų · H-bond donors 5
XLogP
6.7
TPSA
230 Ų
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
16
Heavy atoms
64

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

Computed descriptors from PubChem (CID 137628668), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.