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Icosabutate

CAT: 0013-GTR19203773-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203773-02Size:2 mg
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Description
Icosabutate is an orally active eicosapentaenoic acid derivative that inhibits hepatic inflammation and fibrosis, making it a candidate for NASH and liver fibrosis research. It also lowers triglycerides and improves cardiovascular risk profiles, supporting its study in atherosclerosis and residual hypertriglyceridemia.
CAS Number
1253909-57-7
Product Name Alternative
Icosabutate, non-HDL-C, NST-4016, PRC-4016
Purity
97.50% (May vary between batches)
Solubility
DMSO:80 mg/mL (213.58 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (8.81 mM)
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCOC (CC) C (O) =O
Molecular Formula
C24H38O3
Molecular Weight
374.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Icosabutate

Icosabutate is under investigation in clinical trial NCT02373176 ([14C] Icosabutate -A Phase I Absorption, Metabolism and Excretion Study).

CAS Number1253909-57-7
PubChem CID78210211
IUPAC Name2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
Molecular FormulaC24H38O3
Molecular Weight374.6
XLogP6.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count27
Formal Charge0
Complexity484
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)O
InChI
InChI=1S/C24H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-23(4-2)24(25)26/h5-6,8-9,11-12,14-15,17-18,23H,3-4,7,10,13,16,19-22H2,1-2H3,(H,25,26)/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKey
VOGXDRFFBBLZBT-AAQCHOMXSA-N
Chemical Structure
2D Structure
2D structure of Icosabutate
CAS: 1253909-57-7
CID: 78210211
Formula: C24H38O3
MW: 374.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.6
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass374.28209507
Monoisotopic Mass374.28209507
Topological Polar Surface Area46.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity484
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-121212-01Icosabutate
HY-121212RIcosabutate (Standard)

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