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Anti-inflammatory agent 36

CAT: 0804-HY-148553-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148553-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Anti-inflammatory agent 36 is an anti-inflammatory agent. Anti-inflammatory agent 36 inhibits LPS-induced macrophage activation[1].
CAS Number
2293951-01-4
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/anti-inflammatory-agent-36.html
Purity
98.01
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1N(C(/C=C/C2=CC=C(O)C(OC)=C2)=O)CCC/C1=C\C3=CC(OC)=C(OC)C(OC)=C3
Molecular Formula
C25H27NO7
Molecular Weight
453.48
References & Citations
[1]Qian J, et al. Design and synthesis novel di-carbonyl analogs of curcumin (DACs) act as potent anti-inflammatory agents against LPS-induced acute lung injury (ALI) . Eur J Med Chem. 2019 Apr 1;167:414-425.
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

Anti-inflammatory agent 36
CAS Number2293951-01-4
PubChem CID155521683
IUPAC Name(3E)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-2-one
Molecular FormulaC25H27NO7
Molecular Weight453.5
XLogP3.6
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity722
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/2\CCCN(C2=O)C(=O)/C=C/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C25H27NO7/c1-30-20-13-16(7-9-19(20)27)8-10-23(28)26-11-5-6-18(25(26)29)12-17-14-21(31-2)24(33-4)22(15-17)32-3/h7-10,12-15,27H,5-6,11H2,1-4H3/b10-8+,18-12+
InChIKey
XQUXWWVMQPNGGF-KWKAUDIHSA-N
Chemical Structure
2D Structure
2D structure of Anti-inflammatory agent 36
CAS: 2293951-01-4
CID: 155521683
Formula: C25H27NO7
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass453.17875220
Monoisotopic Mass453.17875220
Topological Polar Surface Area94.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity722
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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