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Chemical structure of BDP9066

GC33340

BDP9066

Also known as (6S)-8-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane

BDP9066 is a potent and selective myotonic dystrophy-related Cdc42-binding kinase MRCK inhibitor with an IC50 of 64 nM for MRCKβ in SCC12 cells, Ki values of 0·0136 nM and 0·0233 nM for MRCKα/β in house determinations, respectively· BDP9066 has therapeutic effect on skin cancer by reducing substrate phosphorylation

ChemicalCAS2226507-04-4MW348.44FormulaC20H24N6
CAS number
2226507-04-4
Molecular weight
348.44
Formula
C20H24N6
Solubility
Soluble in DMSO
InChIKey
UELSMLDRSQFVHG-FQEVSTJZSA-N
Catalogue number
GC33340
Brand
GLPBIO
Computed properties PubChem CID 132275018 · XLogP 2.2 · TPSA 69.7 Ų · H-bond donors 2
XLogP
2.2
TPSA
69.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

SMILES C1CCN[C@@]2(C1)CCCN(C2)C3=C4C(=CNC4=NC=C3)C5=NC=NC=C5

Computed descriptors from PubChem (CID 132275018), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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