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Chemical structure of Prexasertib dihydrochloride

GC36966

Prexasertib dihydrochloride

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

Prexasertib dihydrochloride (LY2606368 dihydrochloride) 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 dihydrochloride inhibits CHK2 (IC50=8 nM) and RSK1 (IC50=9 nM)· Prexasertib dihydrochloride causes double-stranded DNA breakage and replication catastrophe resulting in apoptosis· Prexasertib dihydrochloride shows potent anti-tumor activity

ChemicalCAS1234015-54-3MW438.31FormulaC18H21Cl2N7O2
CAS number
1234015-54-3
Molecular weight
438.31
Formula
C18H21Cl2N7O2
Solubility
DMSO： 8·33 mg/mL (19·00 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
KMEIPKXRCJTZBZ-UHFFFAOYSA-N
Catalogue number
GC36966
Brand
GLPBIO
Computed properties PubChem CID 46700755 · TPSA 135 Ų · H-bond donors 5 · H-bond acceptors 8
TPSA
135 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
29

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

Computed descriptors from PubChem (CID 46700755), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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