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BMT-090605 hydrochloride

CAT: 0931-T61941-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61941-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2231664-45-0
Target
Serine/threonin kinase, Others, AAK1 (AP2 associated kinase 1)
Related Pathways
Others, Metabolism, Neuroscience, Cell Cycle/Checkpoint
Bioactivity
BMT-090605 hydrochloride is an effective and selective inhibitor of connexin-2 associated kinase 1 (AAK1) (IC50=0.6 nM) . BMT-090605 hydrochloride inhibits BMP-2 induced protein kinase (BIKE) (IC50=45 nM) and cyclin G-related kinase GAK (IC50=60 nM) . BMT-090605 hydrochloride shows anti-injury activity. BMT-090605 hydrochloride has research value in neuropathic pain.
Smiles
Cl.CC(C)C[C@H](N)COc1cc2n(C)c(=O)c3c(C)nccc3c2cc1C#N
Molecular Formula
C21H25ClN4O2
Molecular Weight
400.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BMT-090605 (hydrochloride)
CAS Number2231664-45-0
PubChem CID135392527
IUPAC Name8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridine-9-carbonitrile;hydrochloride
Molecular FormulaC21H25ClN4O2
Molecular Weight400.9
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
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.Cl
InChI
InChI=1S/C21H24N4O2.ClH/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;1H/t15-;/m0./s1
InChIKey
JURQHVYCFKMNRC-RSAXXLAASA-N
Chemical Structure
2D Structure
2D structure of BMT-090605 (hydrochloride)
CAS: 2231664-45-0
CID: 135392527
Formula: C21H25ClN4O2
MW: 400.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass400.1666037
Monoisotopic Mass400.1666037
Topological Polar Surface Area92.2 Ų
Heavy Atom Count28
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 Count2
Compound Is CanonicalizedYes

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