Ro 41-5253 - Moligand™, ≥99% , Antagonist of Retinoic acid receptor-α, CAS No.144092-31-9, Antagonist of Retinoic acid receptor-α

CAS: 144092-31-9 Cat. No.: R275860 Peso molecular: 484.7 PubChem CID: 5312120

GRADE & PURITY Moligand™, ≥99%

Synonyms

NCGC00485412-01 | Ro 415253 | Ro 41-5253 | SCHEMBL4183654 | MS-29010 | 4-((E)-2-(7-Heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl)benzoic acid | Ro415253 | Ro-415253 | Ro-41-5253 | ro41-5253 | Q27088587 | R0-415253 | AKOS040749341

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

NCGC00485412-01 | Ro 415253 | Ro 41-5253 | SCHEMBL4183654 | MS-29010 | 4-((E)-2-(7-Heptoxy-4, 4-dimethyl-1, 1-dioxo-2, 3-dihydrothiochromen-6-yl)prop-1-enyl)benzoic acid | Ro415253 | Ro-415253 | Ro-41-5253 | ro41-5253 | Q27088587 | R0-415253 | AKOS040749341

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Potent, selective retinoic acid receptor (RAR) antagonist (IC 50 values are 60 nM, 2400 nM and 3300 nM for RARα, RARβ and RARγ, respectively). Active in vitro .

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of Retinoic acid receptor-α

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

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCOC1=CC2=C(C=C1C(=CC3=CC=C(C=C3)C(=O)O)C)C(CCS2(=O)=O)(C)C
• IUPAC Name: 4-[(E)-2-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid
• InChIKey: JEIWQRITHXYGIF-LVZFUZTISA-N
• INCHI: 1S/C28H36O5S/c1-5-6-7-8-9-15-33-25-19-26-24(28(3,4)14-16-34(26,31)32)18-23(25)20(2)17-21-10-12-22(13-11-21)27(29)30/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,29,30)/b20-17+
• Isómeros SMILES: CCCCCCCOC1=CC2=C(C=C1/C(=C/C3=CC=C(C=C3)C(=O)O)/C)C(CCS2(=O)=O)(C)C
• PubChem CID: 5312120
• Peso molecular: 484.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Thiochromanes Benzoic acids 1-benzothiopyrans Styrenes Benzoyl derivatives Alkyl aryl ethers Thiopyrans Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Stilbene - Thiochromane - Benzoic acid or derivatives - Benzoic acid - 1-benzothiopyran - Benzothiopyran - Benzoyl - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Thiopyran - Benzenoid - Sulfone - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

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)

RARA Tclin Retinoic acid receptor alpha (0 Activities)

Discover Target: RARA

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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM and in ethanol to 25 mM (with warming)
• Peso molecular: 484.600 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 484.228 Da
• Monoisotopic Mass: 484.228 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 801.000
• 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