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Chemical structure of Anti-inflammatory agent 35

GC68671

Anti-inflammatory agent 35

Also known as [2-methoxy-4-[(E)-3-oxo-3-[(3E)-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-1-yl]prop-1-enyl]phenyl] acetate

Anti-inflammatory agent 35 (compound 5a27) is an orally effective curcumin analogue with anti-inflammatory activity· It can block the signaling of mitogen-activated protein kinase (MAPK) and nuclear translocation of NF-kB· Anti-inflammatory agent 35 also inhibits neutrophil infiltration and proinflammatory cytokine production in vitro· In vivo studies have shown that Anti-inflammatory agent 35 significantly alleviates acute lung injury (ALI) induced by lipopolysaccharide (LPS)

ChemicalCAS2293951-00-3MW495.52FormulaC27H29NO8
CAS number
2293951-00-3
Molecular weight
495.52
Formula
C27H29NO8
Solubility
DMSO ： 16·67 mg/mL (33·64 mM; ultrasonic and warming and heat to 60°C)
InChIKey
QLGWATTXCFBRGY-ZEQSIELKSA-N
Catalogue number
GC68671
Brand
GLPBIO
Computed properties PubChem CID 155549737 · XLogP 3.7 · TPSA 101 Ų · H-bond donors 0
XLogP
3.7
TPSA
101 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
36

SMILES CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)N2CCC/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/C2=O)OC

Computed descriptors from PubChem (CID 155549737), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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