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AZ3146

CAT: 0013-GTR19174739-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174739-01Size:5 mg
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Description
AZ3146 is a potent and selective small molecule inhibitor of the Mps1 kinase, demonstrating an IC50 of approximately 35 nM. It is widely used in biochemical and cellular research to study mitotic checkpoint signaling and has been employed in both in vitro assays and in vivo xenograft models to investigate its potential in oncology.
CAS Number
1124329-14-1
Product Name Alternative
AZ 3146, AZ3146, AZ-3146, inhibit, Mps1, Inhibitor, Monopolar spindle 1
Field of Research
Signal Transduction
Purity
>98%
Bioactivity
Msp1 kinase inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 10 mg/ml) or in Ethanol (up to at least 25 mg/ml)
Smiles
O=C1N (C=2C (N1C) =CN=C (NC3=C (OC) C=C (OC4CCN (C) CC4) C=C3) N2) C5CCCC5
Molecular Formula
C24H32N6O3S2
Molecular Weight
452.56
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
9-Cyclopentyl-2-[2-methoxy-4- (1-methylpiperidine-4-yl) oxyanilino]-7-methylpurin-8-one

Chemical Information

9-Cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-one
CAS Number1124329-14-1
PubChem CID56973724
IUPAC Name9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-one
Molecular FormulaC24H32N6O3
Molecular Weight452.5
XLogP3.2
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity669
SMILES
CN1CCC(CC1)OC2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCCC5)OC
InChI
InChI=1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)
InChIKey
YUKWVHPTFRQHMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-one
CAS: 1124329-14-1
CID: 56973724
Formula: C24H32N6O3
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass452.25358890
Monoisotopic Mass452.25358890
Topological Polar Surface Area83.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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