MK-1775

Key facts

CAS number

955365-80-7

Purity

>98%

Form

Solid

form

Molecular weight

500.6 Da

Molecular formula

C₂₇H₃₂N₈O₂

PubChem

24856436

Nature

Synthetic

Solubility

Soluble in DMSO to 200 mM

Biochemical name

Adavosertib

Biological description

Potent and selective small-molecule inhibitor of Wee1 kinase. Inhibits Wee1 (IC₅₀ = 5.2 nM) in cell-free assays. Inhibits phosphorylation of CDC2 at Tyr15 (CDC2Y15), a direct substrate of Wee1 kinase in cell-based assays. Acts synergistically with gemcitabine in tumor cells. In a panel of 223 kinases, only 8 were inhibited >80% by 1μM MK-1775.

Canonical smiles

CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O

InChi

InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)

InChiKey

BKWJAKQVGHWELA-UHFFFAOYSA-N

IUPAC Name

1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one