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Arotinoid

CAT: 0804-HY-106735-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106735-05Size:50 mg
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Description
Arotinoid (RO 13-6298) is a retinoid, and acts as an orally active and highly potent agonist of retinoic acid receptors (RARs) with antipsoriatic effects. Arotinoid has antipapiltoma activity with an ED50 of 0.05 mg/kg. Arotinoid can be used for the research of skin carcinomas[1][2].
CAS Number
71441-09-3
Product Name Alternative
Ro 13-6298; Arotinoid ethyl ester
UNSPSC
12352005
Target
RAR/RXR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/arotinoid.html
Purity
99.55
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CC1(C2=CC(/C(C)=C/C3=CC=C(C(OCC)=O)C=C3)=CC=C2C(C)(C)CC1)C
Molecular Formula
C26H32O2
Molecular Weight
376.53
References & Citations
[1]Tsambaos D, Orfanos CE. Antipsoriatic activity of a new synthetic retinoid. The arotinoid RO 13-6298. Arch Dermatol. 1983 Sep;119 (9) :746-51.|[2]Bollag W. Arotinoids. A new class of retinoids with activities in oncology and dermatology. Cancer Chemother Pharmacol. 1981;7 (1) :27-9.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
CAS Number71441-09-3
PubChem CID6437076
IUPAC Nameethyl 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoate
Molecular FormulaC26H32O2
Molecular Weight376.5
XLogP8.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity577
SMILES
CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
InChI
InChI=1S/C26H32O2/c1-7-28-24(27)20-10-8-19(9-11-20)16-18(2)21-12-13-22-23(17-21)26(5,6)15-14-25(22,3)4/h8-13,16-17H,7,14-15H2,1-6H3/b18-16+
InChIKey
NULUAKSYPPSJCO-FBMGVBCBSA-N
Chemical Structure
2D Structure
2D structure of Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
CAS: 71441-09-3
CID: 6437076
Formula: C26H32O2
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass376.240230259
Monoisotopic Mass376.240230259
Topological Polar Surface Area26.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T85729-01Arotinoid
MBS5779774Arotinoid ethylsulfide
B2058-5.1TTNPB (Arotinoid Acid)
TRC-A040210-250MGArotinoid Ethyl Ester

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