Peretinoin

Category	Hepatitis C Virus (HCV)
CAS	81485-25-8
Description	Peretinoin, also known as NIK-333, orally available, acyclic retinoid with potential antineoplastic and chemopreventive activities. Peretinoin binds to and activates nuclear retinoic acid receptors (RAR), which in turn recruit coactivator proteins and promote, with other transcriptional complexes, the transcription of target genes. As a result, this agent may modulate the expression of genes involved in the regulation of cell proliferation, cell differentiation, and apoptosis of both normal and tumor cells.

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Synonyms	Peretinoin; NIK-333; NIK 333; NIK333
IUPAC Name	(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
Molecular Weight	302.458
Molecular Formula	C20H30O2
Canonical SMILES	CC(=CCCC(=CCCC(=CC=CC(=CC(=O)O)C)C)C)C
InChI	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
Purity	99.79%
Solubility	In vitro: 10 mM in DMSO
Appearance	Light yellow to yellow (Solid)
Storage	-20°C, protect from light, stored under nitrogen * In solvent : -80°C 6 months; -20°C 1 month (protect from light, stored under nitrogen)
Complexity	496
Exact Mass	302.224580195
In Vitro	Peretinoin reduces the mRNA level of sphingosine kinase 1 (SPHK1) in vitro by downregulating a transcription factor, Sp1. Peretinoin prevents the progression of non-alcoholic steatohepatitis (NASH) and the development of hepatocellular carcinoma (HCC) through activating the Autophagy pathway by increased Atg16L1 expression. Peretinoin inhibits HCV RNA amplification and virus release by altering lipid metabolism with a EC50 of 9 μM.
PSA	37.30000
Target	RAR/RXR; SphK; Autophagy; HCV
XLogP3-AA	6.9