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Dibefurin

CAT: 0013-GTR19209767-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209767-01Size:25 mg
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Description
Dibefurin is a calcineurin inhibitor that blocks this calcium/calmodulin-dependent phosphatase, thereby suppressing T-cell activation. It serves as a valuable research tool for studying immunology and T-cell signaling pathways in both cellular and biochemical assays.
CAS Number
175448-33-6
Field of Research
Metabolism Research
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
Storage Conditions
-20°C
Notes
For research use only.

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
T70221-01Dibefurin

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