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Chemical structure of Prexasertib Mesylate Hydrate

GC36967

Prexasertib Mesylate Hydrate

Also known as 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;methanesulfonic acid;hydrate

Prexasertib Mesylate Hydrate (LY2606368 Mesylate Hydrate) is a selective, ATP-competitive second-generation checkpoint kinase 1 (CHK1) inhibitor with a Ki of 0·9 nM and an IC50 of ＜1 nM· Prexasertib Mesylate Hydrate inhibits CHK2 (IC50=8 nM) and RSK1 (IC50=9 nM)· Prexasertib Mesylate Hydrate causes double-stranded DNA breakage and replication catastrophe resulting in apoptosis· Prexasertib Mesylate Hydrate shows potent anti-tumor activity

ChemicalCAS1234015-57-6MW479.51FormulaC19H25N7O6S
CAS number
1234015-57-6
Molecular weight
479.51
Formula
C19H25N7O6S
Solubility
Soluble in DMSO
InChIKey
LCYWXOLNJNHLGN-UHFFFAOYSA-N
Catalogue number
GC36967
Brand
GLPBIO
Computed properties PubChem CID 46836099 · TPSA 199 Ų · H-bond donors 5 · H-bond acceptors 12
TPSA
199 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
33

SMILES COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N.CS(=O)(=O)O.O

Computed descriptors from PubChem (CID 46836099), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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