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Peretinoin

CAT: 0607-BA1859-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1859-2Size:2 mg
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CAS Number
81485-25-8
Form
A solid
Molecular Formula
C20H30O2
Molecular Weight
302.45
Shipping Conditions
Blue ice
Storage Conditions
-20°C, protect from light.

Chemical Information

Acyclic retinoid

Peretinoin is an 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.

CAS Number81485-25-8
PubChem CID6437836
IUPAC Name(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
Molecular FormulaC20H30O2
Molecular Weight302.5
XLogP6.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity496
SMILES
CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C(=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
Chemical Structure
2D Structure
2D structure of Acyclic retinoid
CAS: 81485-25-8
CID: 6437836
Formula: C20H30O2
MW: 302.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.5
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass302.224580195
Monoisotopic Mass302.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3606038-01Peretinoin
A18229-100Peretinoin 100mg
A18229-50Peretinoin 50mg
A18229-5Peretinoin 5mg
A18229-2Peretinoin 2mg
A18229-1Peretinoin 1mg
HY-100008R-01Peretinoin (Standard)
A18229-500Peretinoin 500mg
A18229-25Peretinoin 25mg
A18229-10Peretinoin 10mg

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