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 Formule: C₂₈H₃₆O₅S Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

Moligand™, ≥99%

Mécanismes biochimiques et physiologiques

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 .

Conditions de stockage de stockage

Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of Retinoic acid receptor-α

Note

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.

Pureté

≥99%

Noms et identifiants

Sourires canoniques

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+

Isomères 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

Poids moléculaire

484.7

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• 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

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

Cibles associées (humaines)

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)

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO to 100 mM and in ethanol to 25 mM (with warming)
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 144092-31-9, the molecular formula is C28H36O5S, and the molecular weight is 484.7 g/mol. InChIKey JEIWQRITHXYGIF-LVZFUZTISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.