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Leucettine L41

CAT: 0862-GL8276-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GL8276-5mgSize:5 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
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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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