ChemicalBook--->CAS DataBase List--->246529-22-6

246529-22-6

246529-22-6 Structure

246529-22-6 Structure
IdentificationBack Directory
[Name]

Aramchol
[CAS]

246529-22-6
[Synonyms]

Aramchol
C20-FABAC
Aramchol (in progress)
(3beta)-Arachidylamido-7alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid
Cholan-24-oic acid, 7,12-dihydroxy-3-[(1-oxoeicosyl)amino]-, (3β,5β,7α,12α)-
(3beta,5beta,7alpha,12alpha)-7,12-Dihydroxy-3-[(1-oxoeicosyl)amino]cholan-24-oic acid
(4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-(icosanoylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoicacid
[Molecular Formula]

C44H79NO5
[MDL Number]

MFCD21608618
[MOL File]

246529-22-6.mol
[Molecular Weight]

702.1
Chemical PropertiesBack Directory
[Melting point ]

109-113°C
[Boiling point ]

806.0±65.0 °C(Predicted)
[density ]

1.05±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.76±0.10(Predicted)
[color ]

White
[InChIKey]

SHKXZIQNFMOPBS-OOMQYRRCSA-N
[SMILES]

CCCCCCCCCCCCCCCCCCCC(N[C@@H]1C[C@](C[C@@H](O)[C@]2([H])[C@]3([H])C[C@H](O)[C@@]4(C)[C@@]2([H])CC[C@]4([H])[C@@H](CCC(O)=O)C)([H])[C@]3(C)CC1)=O
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS05,GHS08,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H334-H317-H341-H361-H370-H335-H413
[Precautionary statements ]

P201-P202-P260-P264-P270-P272-P273-P280-P284-P302+P352-P304+P341-P305+P351+P338-P310-P308+P313-P321-P362+P364-P333+P313-P342+P311-P363-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Aramchol is a fatty acid conjugate that exhibits?hypocholesterolemic effects. Studies have shown that aramchol?suppresses the activity of?stearoyl-CoA desaturase (SCD), which leads to reduction of obesity, fatty liver and insulin resistance.
[Biological Activity]

Arachidyl amido cholanoic acid (Aramchol) is a cholesterol solubilizer th at has the potential to prevent and dissolves cholesterol gallstones in inbred mice and in human gallbladder bile ex vivo.''Aramchol is a bile salt fatty acid conjugate (BAFAC) of arachidic acid and cholic acid. It has been shown to reduce liver f at by a dual mechanism of action. It inhibits the activity of liver stearoyl coenzyme A desaturase 1 (SCD1)decreasing the synthesis of fatty acids. In additionit activates cholesterol efflux by stimulating the adenosine triphosphate–binding cassette transporter A1 (ABCA1). Aramchol has been investigated for treatment for nonalcoholic steatohepatitisor NASH.
Spectrum DetailBack Directory
[Spectrum Detail]

Aramchol(246529-22-6)1HNMR
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