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Dibefurin

CAT: 0931-T70221-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70221-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
175448-33-6
Target
Others, Phosphatase, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
Dibefurin is a metabolite that inhibits the activity of calcineurin, a calcium/calmodulin-dependent protein phosphatase involved in the activation of T lymphocytes.
Smiles
OC12C34C(=C(C)C(=O)C(O)(C3=O)C5(C1=O)C(=C(C)C2=O)COC5)COC4
Molecular Formula
C18H16O8
Molecular Weight
360.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dibefurin

Dibefurin is a member of cyclohexenones.

CAS Number175448-33-6
PubChem CID10361141
IUPAC Name2,10-dihydroxy-4,12-dimethyl-7,15-dioxapentacyclo[8.6.1.12,9.01,13.05,9]octadeca-4,12-diene-3,11,17,18-tetrone
Molecular FormulaC18H16O8
Molecular Weight360.3
XLogP-3.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity865
SMILES
CC1=C2COCC23C(=O)C(C1=O)(C45COCC4=C(C(=O)C3(C5=O)O)C)O
InChI
InChI=1S/C18H16O8/c1-7-9-3-25-5-15(9)13(21)17(23,11(7)19)16-6-26-4-10(16)8(2)12(20)18(15,24)14(16)22/h23-24H,3-6H2,1-2H3
InChIKey
QMHFCPLGUKRQDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibefurin
CAS: 175448-33-6
CID: 10361141
Formula: C18H16O8
MW: 360.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.3
XLogP3-3.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass360.08451746
Monoisotopic Mass360.08451746
Topological Polar Surface Area127 Ų
Heavy Atom Count26
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19209767-01Dibefurin

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