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RXR antagonist 5

CAT: 0804-HY-153165-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153165-01Size:5 mg
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Description
RXR antagonist 5 (compound 22) is a selective retinoic acid X receptor (RXR) antagonist with binding potential to RXR evaluated by modeling.
CAS Number
1807740-94-8
UNSPSC
12352005
Target
RAR/RXR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/rxr-antagonist-5.html
Purity
98.80
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(C1=CN=C(N(CC)C2=C(C)C=C(C(C)(CCC3(C)C)C)C3=C2)C=C1)O
Molecular Formula
C23H30N2O2
Molecular Weight
366.50
References & Citations
[1]Modeling, Synthesis, and Biological Evaluation of Potential Retinoid X Receptor (RXR) -Selective Agonists: Analogues of 4-[1- (3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl) ethynyl]benzoic Acid (Bexarotene) and 6- (Ethyl (5,5,8,8-tetrahydronaphthalen-2-yl) amino) nicotinic Acid (NEt-TMN)
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-[Ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid
CAS Number1807740-94-8
PubChem CID118343138
IUPAC Name6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid
Molecular FormulaC23H30N2O2
Molecular Weight366.5
XLogP6.3
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity544
SMILES
CCN(C1=NC=C(C=C1)C(=O)O)C2=CC3=C(C=C2C)C(CCC3(C)C)(C)C
InChI
InChI=1S/C23H30N2O2/c1-7-25(20-9-8-16(14-24-20)21(26)27)19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6/h8-9,12-14H,7,10-11H2,1-6H3,(H,26,27)
InChIKey
HYDUUPGGUIYHGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[Ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid
CAS: 1807740-94-8
CID: 118343138
Formula: C23H30N2O2
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass366.230728204
Monoisotopic Mass366.230728204
Topological Polar Surface Area53.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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