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81485-25-8

81485-25-8 Structure

81485-25-8 Structure
IdentificationBack Directory
[Name]

Polyprenic
[CAS]

81485-25-8
[Synonyms]

E-5166
NIK-333
Polyprenic
POLYPRENOICACID
NIK-333;NIK333;NIK 333
4,5-Dehydrogeranylgeranoic acid
4,5-Didehydrogeranylgeranoic acid
3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
all-trans-3,7,11,15-Tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
(2E,4E,6E,10E)-3,7,11,15-Tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
(2E,4E,6E,10E)-3,7,11,15-tetraMethyl hexadeca-2,4,6,10,14-pentaenoic acid
2,4,6,10,14-Hexadecapentaenoicacid, 3,7,11,15-tetraMethyl-, (2E,4E,6E,10E)-
[Molecular Formula]

C20H30O2
[MDL Number]

MFCD01742209
[MOL File]

81485-25-8.mol
[Molecular Weight]

302.45
Chemical PropertiesBack Directory
[Boiling point ]

460.3±24.0 °C(Predicted)
[density ]

0.943±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Acetonitrile (Slightly, Heated), Benzene (Slightly), Chloroform (Slightly)
[form ]

Solid
[pka]

4.79±0.33(Predicted)
[color ]

Pale Brown to Orange
[InChI]

1S/C20H30O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h8-9,11,13-15H,6-7,10,12H2,1-5H3,(H,21,22)/b14-8+,17-11+,18-13+,19-15+
[InChIKey]

UUBHZHZSIKRVIV-KCXSXWJSSA-N
[SMILES]

OC(=O)\C=C(/C)\C=C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Peretinoin is an acyclic retinoid that may have the ability to inhibit hepatic carcinogenesis
[Biological Activity]

Peretinoin is an orally active synthetic acyclic retinoid (ACR) whose in vivo anti-hepatocellular carcinoma (HCC) efficacy is attributed to its upregulatory activity toward retinoid nuclear receptors (RARbeta & RXRalpha)as well as negative regulation against sphingosine kinase 1 (SPHK1) expression andtherebysphingosine metabolic pathway. Peretinoin inhibits the replication of hepatitis B & C viruses in cultures (HBV & HCV EC50 = 9-25 μM) and shows in vivo efficacy in rodent models of hepatocarcinogenesis among rats (1040or 80 mg/kg/day p.o.) and mice (0.03% or 0.06% in diet) subjected to chronic inflammation induction by diethylnitrosamine (DEN).
Spectrum DetailBack Directory
[Spectrum Detail]

Polyprenic(81485-25-8)1HNMR
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