BMS 493 - ≥98%(HPLC), high purity , CAS No.215030-90-3, Antagonist of Retinoic acid receptor-α;Antagonist of Retinoic acid receptor-β;Antagonist of Retinoic acid receptor-γ;Agonist of TLX

Grade & Purity:

Moligand™

In stock

Item Number

B288943

Grouped product items
SKU	Size	Availability	Price	Qty
B288943-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$162.90
B288943-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$597.90

Pan-RAR inverse agonist

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Synonyms	4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl]benzoic acid \| J-014108 \| 4-[(1E)-2-[5,6-Dihydro-5,5-dimethyl-8-(2-phenylethynyl)-2-naphthalenyl]ethenyl]benzoic acid \| BMS 493 \| CHEBI:132086 \| 2329465-40-7 \| (E)-4-(2-(5,5-Dim
Specifications & Purity	Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms	Pan-retinoic acid receptor (pan-RAR) inverse agonist. Enhances nuclear corepressor (NCoR) interaction with RARs. Binding induces analogous conformational changes in all RAR types (RARα, RARβand RARγ).
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	AGONIST, ANTAGONIST
Mechanism of action	Antagonist of Retinoic acid receptor-α;Antagonist of Retinoic acid receptor-β;Antagonist of Retinoic acid receptor-γ;Agonist of TLX

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Stilbenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Stilbenes
Alternative Parents	Naphthalenes Benzoic acids Styrenes Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Stilbene - Naphthalene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Styrene - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid
INCHI	InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+
InChIKey	YCADIXLLWMXYKW-CMDGGOBGSA-N
Smiles	CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)C#CC4=CC=CC=C4)C
Isomeric SMILES	CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)C#CC4=CC=CC=C4)C
Molecular Weight	404.5
Reaxy-Rn	26622567
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26622567&ln=

Solubility	Solvent:DMSO, Max Conc. mg/mL: 40.45, Max Conc. mM: 100
Molecular Weight	404.500 g/mol
XLogP3	7.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	404.178 Da
Monoisotopic Mass	404.178 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	759.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Basic Description