NF-κB/MAPK-IN-1

CAT: 0804-HY-147972-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-147972-01Size:5 mg

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Description

NF-κB/MAPK-IN-1 (compound 11a) is a potent inhibitor of NF-κB and MAPK pathway. NF-κB/MAPK-IN-1 shows inhibitory activity against NO production, with an IC50 of 6.96 µM. NF-κB/MAPK-IN-1 suppresses LPS-induced iNOS, COX-2, ERΚ and P38 signaling activation. NF-κB/MAPK-IN-1 can prevent LPS induced inflammatory response in macrophages. NF-κB/MAPK-IN-1 can be used for rheumatoid arthritis (RA) research[1].

CAS Number

2413940-56-2

UNSPSC

12352005

Target

COX; NF-κB; NO Synthase; p38 MAPK

Type

Reference compound

Related Pathways

Immunology/Inflammation; MAPK/ERK Pathway; NF-κB

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/nf-κb-mapk-in-1.html

Concentration

10mM

Purity

98.71

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(NC1=CC=C(OC2=CC(OC)=CC=C2C(C)=O)C=C1)/C=C/C3=CC(OC)=C(OC)C(OC)=C3

Molecular Formula

C27H27NO7

Molecular Weight

477.51

References & Citations

[1]Hu YS, et al. Novel paeonol derivatives: Design, synthesis and anti-inflammatory activity in vitro and in vivo. Bioorg Chem. 2020 May;98:103735.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

COX-2; iNOS; NF-κB; p38 MAPK

Chemical Information

NF-kappaB/MAPK-IN-1

CAS Number	2413940-56-2
PubChem CID	148976305
IUPAC Name	(E)-N-[4-(2-acetyl-5-methoxyphenoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Molecular Formula	C27H27NO7
Molecular Weight	477.5
XLogP	4.3
Topological Polar Surface Area	92.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	35
Formal Charge	0
Complexity	692

SMILES

CC(=O)C1=C(C=C(C=C1)OC)OC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C27H27NO7/c1-17(29)22-12-11-21(31-2)16-23(22)35-20-9-7-19(8-10-20)28-26(30)13-6-18-14-24(32-3)27(34-5)25(15-18)33-4/h6-16H,1-5H3,(H,28,30)/b13-6+

InChIKey

PUWGXAJLVXPFFP-AWNIVKPZSA-N

Chemical Structure

2D Structure

CAS: 2413940-56-2

CID: 148976305

Formula: C27H27NO7

MW: 477.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.5
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	477.17875220
Monoisotopic Mass	477.17875220
Topological Polar Surface Area	92.3 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	692
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
M35698-01	NF-κB/MAPK-IN-1
BUP05080-01	NF-?B/MAPK-IN-1
GTR19230884-01	Akt/NF-κB/MAPK-IN-1
T62359-01	TLR4/NF-κB/MAPK-IN-1
T204242-01	NF-κB/MAPK-IN-2
MBS5805793	NF-kappaB/MAPK-IN-1
MBS5820499	Akt/NF-kappaB/MAPK-IN-1
MBS5805046	TLR4/NF-kappaB/MAPK-IN-1
BA8604-1	NF-κB-IN-1
BUP07719-01	NF-?B-IN-1

NF-κB/MAPK-IN-1

Chemical Information

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