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Hymeglusin

CAT: 0804-HY-117430-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-117430-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hymeglusin, as a fungal β-lactone antibiotic, is a HMG-CoA synthase inhibitor (IC50 = 0.12 μM) . Hymeglusin covalently modifies the active Cys129 residue of the enzyme[2][3].
CAS Number
29066-42-0
Product Name Alternative
F-244; 1233A; L-659699
UNSPSC
12352005
Target
Antibiotic; Dengue Virus; Flavivirus
Type
Reference compound
Related Pathways
Anti-infection
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Infection; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/hymeglusin.html
Purity
99.30
Solubility
DMSO : 25 mg/mL
Smiles
O=C(O)/C=C(C)/C=C(C)/C[C@H](C)CCCC[C@H]([C@H]1CO)OC1=O
Molecular Formula
C18H28O5
Molecular Weight
324.41
References & Citations
[1]Rothwell C, et al. Cholesterol biosynthesis modulation regulates dengue viral replication. Virology. 2009 Jun 20;389 (1-2) :18-19.|[2] Greenspan MD, et al. Inhibition of hydroxymethylglutaryl-coenzyme A synthase by L-659,699. Proc Natl Acad Sci U S A. 1987 Nov;84 (21) :7488-92.|[3] Tomoda H, et al. Binding site for fungal beta-lactone hymeglusin on cytosolic 3-hydroxy-3-methylglutaryl coenzyme A synthase. Biochim Biophys Acta. 2004 Feb 27;1636 (1) :22-8.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hymeglusin

Hymeglusin is a long-chain fatty acid.

CAS Number29066-42-0
PubChem CID6440895
IUPAC Name(2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid
Molecular FormulaC18H28O5
Molecular Weight324.4
XLogP4.6
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity478
SMILES
C[C@H](CCCC[C@@H]1[C@H](C(=O)O1)CO)C/C(=C/C(=C/C(=O)O)/C)/C
InChI
InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/b13-9+,14-10+/t12-,15-,16-/m1/s1
InChIKey
ODCZJZWSXPVLAW-KXCGKLMDSA-N
Chemical Structure
2D Structure
2D structure of Hymeglusin
CAS: 29066-42-0
CID: 6440895
Formula: C18H28O5
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass324.19367399
Monoisotopic Mass324.19367399
Topological Polar Surface Area83.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity478
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5777471Hymeglusin
B1244-500(R,R)-Hymeglusin
TBI3289-1MGHymeglusin, Mevalonate biosynthesis inhibitor
MBS651348-01(R,R)-Hymeglusin (1233A, F-244, L-659-699)
045186-01(R, R) -Hymeglusin (1233A, F-244, L-659-699)
452114-01(R, R) -Hymeglusin (1233A, F-244, L-659-699) discontinued. See 045186

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