MM 11253 - Moligand™, ≥98% , Antagonist of Retinoic acid receptor-γ, CAS No.345952-44-5, Antagonist of Retinoic acid receptor-γ

CAS: 345952-44-5 Cat. No.: M275863 Peso molecular: 462.66

GRADE & PURITY Moligand™, ≥98%

Synonyms

MM11253 | MM-11253 | J-019670 | MM11253, >=98% (HPLC) | BDBM50157727 | 6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylic acid | MM 11253 | GTPL4062 | VNA95244 | 6-[2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

MM11253 | MM-11253 | J-019670 | MM11253, >=98% (HPLC) | BDBM50157727 | 6-[2-(5, 5, 8, 8-tetramethyl-6, 7-dihydronaphthalen-2-yl)-1, 3-dithiolan-2-yl]naphthalene-2-carboxylic acid | MM 11253 | GTPL4062 | VNA95244 | 6-[2-(5, 6, 7, 8-Tetrahydro-5, 5, 8, 8-tetramethyl-2

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Selective RARγ antagonist. Blocks the growth inhibitory effects of RARγ-selective agonists. Shows antiapoptotic effects.

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of Retinoic acid receptor-γ

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1(CCC(C2=C1C=CC(=C2)C3(SCCS3)C4=CC5=C(C=C4)C=C(C=C5)C(=O)O)(C)C)C
• IUPAC Name: 6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylic acid
• InChIKey: DPVGXUNWCVEIGT-UHFFFAOYSA-N
• INCHI: 1S/C28H30O2S2/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)
• Isómeros SMILES: CC1(CCC(C2=C1C=CC(=C2)C3(SCCS3)C4=CC5=C(C=C4)C=C(C=C5)C(=O)O)(C)C)C
• Peso molecular: 462.66
• Reaxy-Rn: 9444098
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9444098&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Tetralins Dithioketals 1,3-dithiolanes Dialkylthioethers Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - Tetralin - Dithioketal - 1,3-dithiolane - Dithiolane - Thioacetal - Organoheterocyclic compound - Dialkylthioether - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

Objetivos asociados (humanos)

CYP26A1 Tchem Cytochrome P450 26A1 (1 Activities)

Discover Target: CYP26A1

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

RARG Tclin Retinoic acid receptor gamma (0 Activities)

Discover Target: RARG

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

CYP26A1 Tchem Cytochrome P450 26A1 (308 Activities)

Discover Target: CYP26A1

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

CYP26B1 Tchem Cytochrome P450 26B1 (25 Activities)

Discover Target: CYP26B1

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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM
• Peso molecular: 462.700 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 462.169 Da
• Monoisotopic Mass: 462.169 Da
• Topological Polar Surface Area: 87.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 710.000
• 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

Referencias

1. Li Xinmei, Zhu Xinyu, Wang Bingqian, Sun Jiaming, Xia Yun.  (2025)  α-Mangostin, a safe and natural product as a candidate skin-whitening agent.  Scientific Reports,      [PMID:41353265] [10.1038/s41598-025-31047-5]