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PA 452 - ≥98%(HPLC), high purity , CAS No.457657-34-0, Antagonist of Retinoid X receptor-α

COA

Grade & Purity:

Moligand™

≥98%(HPLC)

Cas Number: 457657-34-0
Molecular Weight: 439.59
PubChem CID: 9803242

In stock

Item Number

P288123

Grouped product items
SKU	Size	Availability	Price
P288123-1mg	1mg	3	$79.90
P288123-5mg	5mg	3	$249.90
P288123-10mg	10mg	2	$399.90
P288123-25mg	25mg	2	$657.90
P288123-50mg	50mg	1	$936.90

RXR antagonist

View related series

Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) RAR/RXR (76) Retinoid X receptor-α Antagonist (7) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	2-[[3-(Hexyloxy)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl]methylamino]-5-pyrimidinecarboxylic acid
Specifications & Purity	Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms	RXR antagonist (pA2= 7.11). Triggers dissociation of RXR tetramers. Attenuates cell proliferation and induces apoptosis in MCF-7 breast cancer cells.
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of Retinoid X receptor-α

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Tertiary alkylarylamines
        Level7 Alkyldiarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines - Tertiary alkylarylamines
Direct Parent	Alkyldiarylamines
Alternative Parents	Tetralins Pyrimidinecarboxylic acids Phenol ethers Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alkyldiarylamine - Tetralin - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
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

Associated Targets(Human)

RXRA Tclin Retinoic acid receptor RXR-alpha (3 Activities)

Discover Target: RXRA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RXRG Tclin Retinoid X receptor gamma (646 Activities)

Discover Target: RXRG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRB Tclin Retinoid X receptor beta (726 Activities)

Discover Target: RXRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin RXR alpha/PPAR gamma (112 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha (132 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-[(3-hexoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-methylamino]pyrimidine-5-carboxylic acid
INCHI	InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)
InChIKey	JJUUTJCZMGZJDZ-UHFFFAOYSA-N
Smiles	CCCCCCOC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)N(C)C3=NC=C(C=N3)C(=O)O
Isomeric SMILES	CCCCCCOC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)N(C)C3=NC=C(C=N3)C(=O)O
PubChem CID	9803242
Molecular Weight	439.59

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
G2422195	Certificate of Analysis	Apr 15, 2024	P288123
G2422196	Certificate of Analysis	Apr 15, 2024	P288123
G2422197	Certificate of Analysis	Apr 15, 2024	P288123
G2422198	Certificate of Analysis	Apr 15, 2024	P288123
G2422199	Certificate of Analysis	Apr 15, 2024	P288123
G2422200	Certificate of Analysis	Apr 15, 2024	P288123
G2422201	Certificate of Analysis	Apr 15, 2024	P288123
G2422202	Certificate of Analysis	Apr 15, 2024	P288123
G2422203	Certificate of Analysis	Apr 15, 2024	P288123
G2422204	Certificate of Analysis	Apr 15, 2024	P288123

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 43.96, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.4, Max Conc. mM: 10
Molecular Weight	439.600 g/mol
XLogP3	7.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	439.283 Da
Monoisotopic Mass	439.283 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	615.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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PA 452 - ≥98%(HPLC), high purity , CAS No.457657-34-0, Antagonist of Retinoid X receptor-α

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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