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BMT-090605

CAT: 0931-T14691-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T14691-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1551403-51-0
Target
Serine/threonin kinase, AAK1 (AP2 associated kinase 1), Others
Related Pathways
Others, Cell Cycle/Checkpoint, Metabolism, Neuroscience
Bioactivity
BMT-090605 is a potent, selective AAK1 inhibitor with an IC50 of 0.6 nM, and inhibits BMP-2-inducible protein kinase (BIKE) and Cyclin G-associated kinase (GAK) with IC50s of 45 and 60 nM, respectively[1]. BMT-090605 also exhibits antinociceptive activity.
Smiles
CN1C=2C(C=3C(C1=O)=C(C)N=CC3)=CC(C#N)=C(OC[C@H](CC(C)C)N)C2
Molecular Formula
C21H24N4O2
Molecular Weight
364.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-8-((2-amino-4-methylpentyl)oxy)-4,6-dimethyl-5-oxo-5,6-dihydrobenzo[c][2,7]naphthyridine-9-carbonitrile
CAS Number1551403-51-0
PubChem CID73214233
IUPAC Name8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridine-9-carbonitrile
Molecular FormulaC21H24N4O2
Molecular Weight364.4
XLogP2.5
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity586
SMILES
CC1=NC=CC2=C1C(=O)N(C3=C2C=C(C(=C3)OC[C@H](CC(C)C)N)C#N)C
InChI
InChI=1S/C21H24N4O2/c1-12(2)7-15(23)11-27-19-9-18-17(8-14(19)10-22)16-5-6-24-13(3)20(16)21(26)25(18)4/h5-6,8-9,12,15H,7,11,23H2,1-4H3/t15-/m0/s1
InChIKey
NQXBZPJVVGIFBJ-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of (S)-8-((2-amino-4-methylpentyl)oxy)-4,6-dimethyl-5-oxo-5,6-dihydrobenzo[c][2,7]naphthyridine-9-carbonitrile
CAS: 1551403-51-0
CID: 73214233
Formula: C21H24N4O2
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass364.18992602
Monoisotopic Mass364.18992602
Topological Polar Surface Area92.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity586
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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