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Leucettine L41

CAT: 0862-GL8276-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GL8276-1mgSize:1 mg
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CAS Number
1112978-84-3
HS Code
3822000000
Purity
98.00%
Molecular Formula
C17H13N3O3
Molecular Weight
307.3
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

((5Z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4H-imidazol-4-one)

Leucettine L41 is a member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a (2-anilino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)methyl group at position 5. It is an inhibitor of DYRK1A, DYRK2, CLK1, and CLK3 (IC50s = 0.04, 0.035, 0.015, and 4.5 M, respectively). It has a role as an autophagy inducer, an EC 2.7.12.1 (dual-specificity kinase) inhibitor, a neuroprotective agent, a nootropic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is an imidazolone, a member of benzodioxoles and a substituted aniline.

CAS Number1112978-84-3
PubChem CID135398522
IUPAC Name(4Z)-2-anilino-4-(1,3-benzodioxol-5-ylmethylidene)-1H-imidazol-5-one
Molecular FormulaC17H13N3O3
Molecular Weight307.30
XLogP2.5
Topological Polar Surface Area72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity525
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)NC(=N3)NC4=CC=CC=C4
InChI
InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)/b13-8-
InChIKey
PGPHHJBZEGSUNE-JYRVWZFOSA-N
Chemical Structure
2D Structure
2D structure of ((5Z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4H-imidazol-4-one)
CAS: 1112978-84-3
CID: 135398522
Formula: C17H13N3O3
MW: 307.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.30
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass307.09569129
Monoisotopic Mass307.09569129
Topological Polar Surface Area72 Ų
Heavy Atom Count23
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
bs-75647C-01Leucettine L41
207259-01Leucettine L41 ((5Z) -5- (1,3-Benzodioxol-5-yl) methylene-2-phenylamino-3,5-dihydro-4H-imidazol-4one)

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