AGN 193109 - Moligand™, ≥98%(HPLC) , Antagonist of Retinoic acid receptor-α;Antagonist of Retinoic acid receptor-β;Antagonist of Retinoic acid receptor-γ, CAS No.171746-21-7, Antagonist of Retinoic acid receptor-α;Antagonist of Retinoic acid receptor-β;Antagonist of Retinoic acid receptor-γ

CAS: 171746-21-7 Cat. No.: A286823 Molecular Weight: 392.49

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

4-((5,5-Dimethyl-8-(p-tolyl)-5,6-dihydronaphthalen-2-yl)ethynyl)benzoic acid | AKOS030211125 | (2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | GTPL2640 | HY-U00449G | ZC6062V1O9 | 4-[(5,6-d

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description：

AGN 193109 is a retinoid analog, and acts as a specific and highly effective antagonist of retinoic acid receptors (RARs), with Kds of 2 nM, 2 nM, and 3 nM for RARα, RARβ, and RARγ, respectively.

Specifications

Synonyms

4-((5, 5-Dimethyl-8-(p-tolyl)-5, 6-dihydronaphthalen-2-yl)ethynyl)benzoic acid | AKOS030211125 | (2S, 3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2, 3, 4, 5-tetrahydro-1, 5-benzothiazepin-3-yl acetate | GTPL2640 | HY-U00449G | ZC6062V1O9 | 4-[(5, 6-d

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

High affinity pan-retinoic acid receptor (RAR) antagonist (Kdvalues are 2, 2 and 3 nM at RARα, RARβand RARγ, respectively). Exhibits no significant affinity for retinoic X receptors.AGN 193109 is an orally active retinoic acid receptor (RAR) antagonist th

Storage

Store at -20°C

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 Retinoic acid receptor-α;Antagonist of Retinoic acid receptor-β;Antagonist of Retinoic acid receptor-γ

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C
• IUPAC Name: 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid
• InChIKey: NCEQLLNVRRTCKJ-UHFFFAOYSA-N
• INCHI: 1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
• Isomeric SMILES: CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C
• Alternate CAS: 171746-21-7
• MeSH Entry Terms: 4-((5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl)benzoic acid;AGN 193109;AGN-193109;AGN193109
• Molecular Weight: 392.49
• Reaxy-Rn: 7442147
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7442147&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Naphthalenes Benzoic acids Benzoyl derivatives Toluenes Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Cadinane sesquiterpenoid - Sesquiterpenoid - Naphthalene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Toluene - 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 sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Not available

Data sources

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)

RARG Tclin Retinoic acid receptor gamma (5 Activities)

Discover Target: RARG

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

RARB Tclin Retinoic acid receptor beta (5 Activities)

Discover Target: RARB

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

RARA Tclin Retinoic acid receptor alpha (5 Activities)

Discover Target: RARA

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

RARA Tclin Retinoic acid receptor alpha (1324 Activities)

Discover Target: RARA

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

RARG Tclin Retinoic acid receptor gamma (1154 Activities)

Discover Target: RARG

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 1.96, Max Conc. mM: 5 with gentle warming
• Molecular Weight: 392.500 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 392.178 Da
• Monoisotopic Mass: 392.178 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 716.000
• 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