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D228

CAT: 0804-HY-164670-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-164670-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
D228 is an orally active antiinflammatory agent. D228 reduces ConA induced T lymphocyte cell proliferation (IC50: 42.85 μM) and LPS induced B lymphocyte cell proliferation (IC50: 3.15 μM). D228 is effective against inflammatory bowel disease (IBD). D228 alleviates the DSS -induced inflammation response in the IBD model by downregulating the MyD88/TRAF6/p38 signaling[1].
CAS Number
2676188-98-8
UNSPSC
12352005
Target
MyD88; p38 MAPK
Type
Reference compound
Related Pathways
Immunology/Inflammation; MAPK/ERK Pathway
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/d228.html
Purity
99.77
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CC1=C(C(/C(O1)=C(C)\C)=O)O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2
Molecular Formula
C22H28O12
Molecular Weight
484.45
References & Citations
[1]Tang ML, et al. From Hit to Lead: Discovery of First-In-Class Furanone Glycoside D228 Derived from Chimonanthus salicifolius for the Treatment of Inflammatory Bowel Disease. J Med Chem. 2024 Oct 10;67 (19) :17101-17123.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-methyl-4-oxo-5-propan-2-ylidenefuran-3-yl)oxyoxan-2-yl]methyl acetate
CAS Number2676188-98-8
PubChem CID156516634
IUPAC Name[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-methyl-4-oxo-5-propan-2-ylidenefuran-3-yl)oxyoxan-2-yl]methyl acetate
Molecular FormulaC22H28O12
Molecular Weight484.4
XLogP1.7
Topological Polar Surface Area150
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity926
SMILES
CC1=C(C(=O)C(=C(C)C)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C22H28O12/c1-9(2)17-16(27)18(10(3)29-17)34-22-21(32-14(7)26)20(31-13(6)25)19(30-12(5)24)15(33-22)8-28-11(4)23/h15,19-22H,8H2,1-7H3/t15-,19-,20+,21-,22+/m1/s1
InChIKey
GLNKLSQINQQSFI-JLMLEOCNSA-N
Chemical Structure
2D Structure
2D structure of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-methyl-4-oxo-5-propan-2-ylidenefuran-3-yl)oxyoxan-2-yl]methyl acetate
CAS: 2676188-98-8
CID: 156516634
Formula: C22H28O12
MW: 484.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.4
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass484.15807632
Monoisotopic Mass484.15807632
Topological Polar Surface Area150 Ų
Heavy Atom Count34
Formal Charge0
Complexity926
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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