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Nornidulin

CAT: 0804-HY-119631Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119631Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nornidulin is a depsidone originally isolated from A. nidulans that has antibacterial activity against M. tuberculosis and M. ranoe as well as antifungal activity against T. tonsurans and M. audouini. It also inhibits the growth of methicillin-resistant S. aureus (MRSA; MIC=2 μg/mL) .2 Nornidulin has cytotoxic activity in MOLT-3 cells (IC50=35.7 μM) but not HuCCA-1, HepG2, or A549 cells (IC50s=>116.4 μM) .
CAS Number
33403-37-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/nornidulin.html
Purity
99.30
Smiles
CC1=C(C(Cl)=C(C2=C1OC(C3=C(O2)C(Cl)=C(C(Cl)=C3C)O)=O)/C(C)=C\C)O
Molecular Formula
C19H15Cl3O5
Molecular Weight
429.68
Precautions
H302, H315, H319, H335
References & Citations
[1]Dean, et al. Nidulin and “Ustin”: Two chlorine-containing metabolic products of Aspergillus nidulans. Nature 172 (4372), 344 (1953) .
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Nornidulin
CAS Number33403-37-1
PubChem CID20056625
IUPAC Name1-[(Z)-but-2-en-2-yl]-2,8,10-trichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Molecular FormulaC19H15Cl3O5
Molecular Weight429.7
XLogP6.5
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity614
SMILES
C/C=C(/C)\C1=C(C(=C(C2=C1OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)Cl)C)O)Cl
InChI
InChI=1S/C19H15Cl3O5/c1-5-6(2)9-12(21)14(23)8(4)16-18(9)26-17-10(19(25)27-16)7(3)11(20)15(24)13(17)22/h5,23-24H,1-4H3/b6-5-
InChIKey
XEQDVQKKHOQZEP-WAYWQWQTSA-N
Chemical Structure
2D Structure
2D structure of Nornidulin
CAS: 33403-37-1
CID: 20056625
Formula: C19H15Cl3O5
MW: 429.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.7
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass427.998507
Monoisotopic Mass427.998507
Topological Polar Surface Area76 Ų
Heavy Atom Count27
Formal Charge0
Complexity614
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
GTR19191330-01Nornidulin
N4000-45Nornidulin (Ustin)

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