AC 261066 - Moligand™, ≥98%(HPLC) , Agonist of Retinoic acid receptor-β, CAS No.870773-76-5, Agonist of Retinoic acid receptor-β

CAS: 870773-76-5 Cat. No.: A288562 Fórmula: C17H20FNO4S Peso molecular: 353.41
Disponível para encomenda
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
Synonyms
AKOS024457947 | SCHEMBL4598579 | LGF3F89BZP | 4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acid | Q27074132 | BDBM50413272 | Benzoic acid, 4-[4-(2-butoxyethoxy)-5-methyl-2-thiazolyl]-2-fluoro- | 4-(4-(2-butoxyethoxy)-5-methylthiazol-2-
Storage
Room temperature
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
10mg
A288562-10mg
Sob encomenda · 8–12 semanas

68,46€

103,17€
Gravar 34,71 € (33.64%)
50mg
A288562-50mg
Sob encomenda · 8–12 semanas

219,45€

329,65€
Gravar 110,20 € (33.43%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
AKOS024457947 | SCHEMBL4598579 | LGF3F89BZP | 4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acid | Q27074132 | BDBM50413272 | Benzoic acid, 4-[4-(2-butoxyethoxy)-5-methyl-2-thiazolyl]-2-fluoro- | 4-(4-(2-butoxyethoxy)-5-methylthiazol-2-
Especificações e pureza
Moligand™, ≥98%(HPLC)
Mecanismos bioquímicos e fisiológicos
Potent RARβ2 agonist (pEC50= 8.1). Selective over RARβ1, RARαand RARγ(pEC50values are 6.4, 6.2 and 6.3 respectively). More potent and orally available than AC 55649.
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Grau
Moligand™
Tipo de ação
AGONIST
Mecanismo de ação
Agonist of Retinoic acid receptor-β
Pureza
≥98%(HPLC)
Nomes e identificadores
Sorrisos canónicosCCCCOCCOC1=C(SC(=N1)C2=CC(=C(C=C2)C(=O)O)F)C
IUPAC Name4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acid
InChIKeyHSAOETBFVAWNRP-UHFFFAOYSA-N
INCHI1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)
SMILES isoméricas CCCCOCCOC1=C(SC(=N1)C2=CC(=C(C=C2)C(=O)O)F)C
Peso molecular 353.41
Reaxy-Rn 10286728
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10286728&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Halobenzoic acids and derivatives
Direct ParentHalobenzoic acids
Alternative Parents 2-halobenzoic acids  Benzoic acids  1-carboxy-2-haloaromatic compounds  2,4,5-trisubstituted thiazoles  Benzoyl derivatives  Alkyl aryl ethers  Fluorobenzenes  Aryl fluorides  Vinylogous halides  Heteroaromatic compounds  Dialkyl ethers  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organonitrogen compounds  Organofluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - 1-carboxy-2-haloaromatic compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azole - Thiazole - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
RARB Tclin Retinoic acid receptor beta (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RARA Tclin Retinoic acid receptor alpha (1324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RARG Tclin Retinoic acid receptor gamma (1154 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RARB Tclin Retinoic acid receptor beta (1232 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SolubilidadeSolvent:DMSO, Max Conc. mg/mL: 35.34, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 35.34, Max Conc. mM: 100
Peso molecular353.400 g/mol
XLogP34.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass353.11 Da
Monoisotopic Mass353.11 Da
Topological Polar Surface Area96.900 Ų
Heavy Atom Count24
Formal Charge0
Complexity401.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

What is the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by HPLC. 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 room temperature.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 870773-76-5, the molecular formula is C17H20FNO4S, and the molecular weight is 353.41 g/mol. InChIKey HSAOETBFVAWNRP-UHFFFAOYSA-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.

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