Products for Research Use Only
RegisterLogin

Antifungal agent 66

CAT: 0804-HY-155702Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-155702Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Antifungal agent 66 (compound 10) has antifungal activity. Antifungal agent 66 has a broad-spectrum antifungal activity against seven phytopathogenic fungal mycelia. Antifungal agent 66 has pronounced inhibitory activity against the spore of B. cinerea with an IC50 value of 47.7 μg/mL[1].
CAS Number
1613152-33-2
UNSPSC
12352005
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antifungal-agent-66.html
Solubility
10 mM in DMSO
Smiles
ClCC(O[C@H]1[C@H]2[C@H](OC(C2=C)=O)CC(C)=C1[C@@H](C)CCCOC(C)=O)=O
Molecular Formula
C19H25ClO6
Molecular Weight
384.85
References & Citations
[1]Zhi XY, et, al. Discovery of Natural Sesquiterpene Lactone 1-O-Acetylbritannilactone Analogues Bearing Oxadiazole, Triazole, or Imidazole Scaffolds for the Development of New Fungicidal Candidates. J Agric Food Chem. 2023 Aug 2;71 (30) :11680-11691.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antifungal agent 66
CAS Number1613152-33-2
PubChem CID101884691
IUPAC Name[(3aR,4S,7aR)-5-[(2S)-5-acetyloxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-chloroacetate
Molecular FormulaC19H25ClO6
Molecular Weight384.8
XLogP2.5
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity638
SMILES
CC1=C([C@H]([C@H]2[C@@H](C1)OC(=O)C2=C)OC(=O)CCl)[C@@H](C)CCCOC(=O)C
InChI
InChI=1S/C19H25ClO6/c1-10(6-5-7-24-13(4)21)16-11(2)8-14-17(12(3)19(23)25-14)18(16)26-15(22)9-20/h10,14,17-18H,3,5-9H2,1-2,4H3/t10-,14+,17+,18+/m0/s1
InChIKey
RYKKXQWEYIZDNQ-VBJMPTANSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 66
CAS: 1613152-33-2
CID: 101884691
Formula: C19H25ClO6
MW: 384.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.8
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass384.1339662
Monoisotopic Mass384.1339662
Topological Polar Surface Area78.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-W1127089-01Antifungal agent 136
HY-173206Antifungal agent 128
HY-155198Antifungal agent 72
HY-158053Antifungal agent 94
HY-151439Antifungal agent 41
HY-146079Antifungal agent 31
HY-151440Antifungal agent 42
HY-149603Antifungal agent 78
HY-163337Antifungal agent 92
HY-161380Antifungal agent 96

Alternative Products

CatalogName
T40329Antifungal agent 14
T208798-01Antifungal agent 89
T207172-01Antifungal agent 132
T63314-01Antifungal agent 31
T63157-01Antifungal agent 16
T62658-01Antifungal agent 22
T10334-01Antifungal agent 2
T62211-01Antifungal agent 33
T62419-01Antifungal agent 13
T85682-01Antifungal agent 92

Popular Products