1-Ethyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one
Basic information
- CAS
343307-76-6- Standard SMILES
CCN1CC(=Cc2cc(OC)c(OC)c(OC)c2)C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)C1- InChIKey
IOFNKUXFKVPLPF-UHFFFAOYSA-N- Molecular formula
- C27H33NO7
- Average molar mass
- 483.6 g/mol
- Monoisotopic mass
- 483.22570239
Names & identifiers
- Preferred name
- 1-Ethyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one
- IUPAC
- 1-ethyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one
- English name
- 4-Piperidinone, 1-ethyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylene]-
- Molecular formula
- C27H33NO7
- Molecular weight
- 483.55
Names & synonyms
1-ethyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one343307-76-6DTXSID40400787SYC 9144-Piperidinone, 1-ethyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylene]-AKOS034380977L47H37L48H37, 10 mM in DMSO1-Ethyl-3,5-bis(3,4,5-trimethoxybenzylidene)piperidin-4-one1-Ethyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylene]-4-piperidinoneinhibit,Inflammation,lung injury,TLR4/MD2,Asthma,IL-6,L48H37,Toll-like Receptor (TLR),Sepsis,Curcumin,Inhibitor,TNF-α,L-48H37
Database identifiers
- CAS
343307-76-6- PubChem CID
- 4201646
- DTXSID
DTXSID40400787
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- 50 mg/mL · DMSO : 50 mg/mL (103.40 mM; Need ultrasonic)
- form
- Solid
- color
- Light yellow to yellow
Chemistry & industry
Applications
UsesL48H37 is an analog of Curcumin (HY-N0005) with improved chemical stability. L48H37 is a potent and specific myeloid differentiation protein 2 (MD2) inhibitor and inhibits the interaction and signaling transduction of LPS-TLR4/MD2. L48H37 is used for the research of sepsis or lung injury treatment[1].
Related reactions
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Compound notes
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