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Chemical structure of Momelotinib Mesylate

GC36646

Momelotinib Mesylate

Also known as N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide;methanesulfonic acid

Momelotinib Mesylate (CYT387 Mesylate) is an ATP-competitive inhibitor of JAK1/JAK2 with IC50 of 11 nM/18 nM, appr 10-fold selectivity versus JAK3

ChemicalCAS1056636-07-7MW510.57FormulaC24H26N6O5S
CAS number
1056636-07-7
Molecular weight
510.57
Formula
C24H26N6O5S
Solubility
Soluble in DMSO
InChIKey
LYIDPXWFFVJQLY-UHFFFAOYSA-N
Catalogue number
GC36646
Brand
GLPBIO
Computed properties PubChem CID 78357762 · TPSA 166 Ų · H-bond donors 3 · H-bond acceptors 10
TPSA
166 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
36

SMILES CS(=O)(=O)O.C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

Computed descriptors from PubChem (CID 78357762), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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