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Edasalonexent

CAT: 0013-GTR19203385-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203385-07Size:100 mg
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Description
Edasalonexent (CAT-1004) is an orally administered small molecule inhibitor of NF-κB, developed for research into Duchenne muscular dystrophy (DMD) . It has been investigated in both in vitro models and in vivo preclinical studies to assess its potential to modulate inflammation and disease progression associated with DMD.
CAS Number
1204317-86-1
Product Name Alternative
Edasalonexent, CAT1004, CAT-1004, CAT 1004, NFkB, NF-kB, NFκB, NF-κB
Field of Research
Signal Transduction
Purity
99.13% (May vary between batches)
Solubility
DMSO:80 mg/mL (163.04 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2.5 mg/mL (5.09 mM)
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC (=O) NCCNC (=O) c1ccccc1O
Molecular Formula
C31H42N2O3
Molecular Weight
490.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Edasalonexent

Edasalonexent is under investigation in clinical trial NCT01511900 (A Multiple Ascending Dose Study of CAT-1004 in Patients With Type 2 Diabetes).

CAS Number1204317-86-1
PubChem CID44626120
IUPAC NameN-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]-2-hydroxybenzamide
Molecular FormulaC31H42N2O3
Molecular Weight490.7
XLogP7.1
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Heavy Atom Count36
Formal Charge0
Complexity762
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C31H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(35)32-26-27-33-31(36)28-23-21-22-24-29(28)34/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,34H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,35)(H,33,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey
JQLBBYLGWHUHRW-KUBAVDMBSA-N
Chemical Structure
2D Structure
2D structure of Edasalonexent
CAS: 1204317-86-1
CID: 44626120
Formula: C31H42N2O3
MW: 490.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.7
XLogP37.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Exact Mass490.31954321
Monoisotopic Mass490.31954321
Topological Polar Surface Area78.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity762
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8642-25Edasalonexent
A20853-100Edasalonexent 100mg
A20853-50Edasalonexent 50mg
A20853-25Edasalonexent 25mg
A20853-10Edasalonexent 10mg
A20853-5Edasalonexent 5mg
A20853-2Edasalonexent 2mg
A20853-1Edasalonexent 1mg
A20853-10mM-DEdasalonexent 10mM * 1mL in DMSO

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