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UCB9386

CAT: 0013-GTR19250489-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250489-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UCB9386 is a potent, brain-penetrant small molecule inhibitor selectively targeting Nuak1 (pIC50 10.1), with additional activity against Nuak2 and Kak2. This tool compound is used in vitro and in vivo to investigate the roles of AMPK-related kinases in neurological diseases and cancer biology.
CAS Number
3096082-93-5
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
C[C@H] (C1=CC=CC=C1) N2C3=CC (=NC=C3N=C (C2=O) N4CC5 (C4) CN (C5) C) C6=CN=C7N6N=CC=C7
Molecular Formula
C27H26N8O
Molecular Weight
478.548
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-imidazo[1,2-b]pyridazin-3-yl-3-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1-[(1R)-1-phenylethyl]pyrido[3,4-b]pyrazin-2-one
CAS Number3096082-93-5
PubChem CID172676957
IUPAC Name7-imidazo[1,2-b]pyridazin-3-yl-3-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1-[(1R)-1-phenylethyl]pyrido[3,4-b]pyrazin-2-one
Molecular FormulaC27H26N8O
Molecular Weight478.5
XLogP1.5
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity875
SMILES
C[C@H](C1=CC=CC=C1)N2C3=CC(=NC=C3N=C(C2=O)N4CC5(C4)CN(C5)C)C6=CN=C7N6N=CC=C7
InChI
InChI=1S/C27H26N8O/c1-18(19-7-4-3-5-8-19)34-22-11-20(23-13-29-24-9-6-10-30-35(23)24)28-12-21(22)31-25(26(34)36)33-16-27(17-33)14-32(2)15-27/h3-13,18H,14-17H2,1-2H3/t18-/m1/s1
InChIKey
XYKISMBNQVUKPW-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of 7-imidazo[1,2-b]pyridazin-3-yl-3-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1-[(1R)-1-phenylethyl]pyrido[3,4-b]pyrazin-2-one
CAS: 3096082-93-5
CID: 172676957
Formula: C27H26N8O
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass478.22295748
Monoisotopic Mass478.22295748
Topological Polar Surface Area82.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity875
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-170360-01UCB9386

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