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FD-838

CAT: 0931-TN4053Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4053Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110341-78-1
Target
Antifection
Related Pathways
Microbiology/Virology
Bioactivity
FD-838 shows good antileishmanial and moderate anticancer activities, it can moderately inhibit the growth of cultured P388 and HL-60 cell lines. FD-838 has anti-fungal activity, it can significantly inhibit the growth of two plant fungal pathogens Botrytis cinerea and Glomerella cingulata with an minimum inhibitory concentration of 6.25 uM for each, similar to that of the positive fungicide, carbendazim.
Smiles
CCc1ccc(o1)C1=C(C)C(=O)[C@@]2(O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)c1ccccc1
Molecular Formula
C22H21NO7
Molecular Weight
411.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

FD-838

(5S,8S,9R)-8-benzoyl-2-(5-ethylfuran-2-yl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione has been reported in Mugil cephalus with data available.

CAS Number110341-78-1
PubChem CID44474868
IUPAC Name(5S,8S,9R)-8-benzoyl-2-(5-ethylfuran-2-yl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Molecular FormulaC22H21NO7
Molecular Weight411.4
XLogP2.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity786
SMILES
CCC1=CC=C(O1)C2=C(C(=O)[C@@]3(O2)[C@H]([C@@](NC3=O)(C(=O)C4=CC=CC=C4)OC)O)C
InChI
InChI=1S/C22H21NO7/c1-4-14-10-11-15(29-14)16-12(2)17(24)21(30-16)19(26)22(28-3,23-20(21)27)18(25)13-8-6-5-7-9-13/h5-11,19,26H,4H2,1-3H3,(H,23,27)/t19-,21-,22-/m1/s1
InChIKey
PXIIDWGMSCTXAQ-CEMLEFRQSA-N
Chemical Structure
2D Structure
2D structure of FD-838
CAS: 110341-78-1
CID: 44474868
Formula: C22H21NO7
MW: 411.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight411.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass411.13180201
Monoisotopic Mass411.13180201
Topological Polar Surface Area115 Ų
Heavy Atom Count30
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes