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Leucettamol A

CAT: 0804-HY-125660Size: 1 EachDry Ice: NoHazardous: No
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Description
Leucettamol A is an inhibitor of Ubc13 (ubiquitin E2 enzyme) -Uev1A interaction, with an IC50 of 50 μg/mL. Leucettamol A can potentially activate the expression of cancer suppressor p53 and is a precursor of anticancer agents. Leucettamol A can be isolated from a marine sponge, Leucetta aff. Microrhaphis[1][2].
CAS Number
151124-32-2
UNSPSC
12352211
Target
E1/E2/E3 Enzyme; MDM-2/p53
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/leucettamol-a.html
Smiles
C[C@@H](N)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC[C@H](O)[C@H](N)C
Molecular Formula
C30H52N2O2
Molecular Weight
472.75
References & Citations
[1]Sachiko Tsukamoto, et al. Leucettamol A: a new inhibitor of Ubc13-Uev1A interaction isolated from a marine sponge, Leucetta aff. Microrhaphis. Bioorg Med Chem Lett. 2008 Dec 15;18 (24) :6319-20.|[2]Kimberli M Helms, et al. Vitexin inhibits polyubiquitin synthesis by the ubiquitin-conjugating enzyme E2-25K. Nat Prod Commun. 2011 Oct;6 (10) :1411-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Leucettamine A

Leucettamine A has been reported in Leucetta microraphis with data available.

CAS Number151124-32-2
PubChem CID10021742
IUPAC Name4,5-bis(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-amine
Molecular FormulaC20H19N3O4
Molecular Weight365.4
XLogP3.2
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity523
SMILES
CN1C(=C(N=C1N)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C20H19N3O4/c1-23-15(7-13-3-5-17-19(9-13)27-11-25-17)14(22-20(23)21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22)
InChIKey
CHUHMZZQHYOKBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Leucettamine A
CAS: 151124-32-2
CID: 10021742
Formula: C20H19N3O4
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass365.13755610
Monoisotopic Mass365.13755610
Topological Polar Surface Area80.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity523
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

Alternative Products

CatalogName
MBS5777519Leucettamol A

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