DG 041 - Moligand™, ≥98%(HPLC) , Antagonist of EP 3 receptor, CAS No.861238-35-9, Antagonist of EP 3 receptor

CAS: 861238-35-9 Cat. No.: D288137 Peso molecular: 592.32
Disponible para pedir
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
4,5-dichloro-thiophene-2-sulfonic acid [(E)-3-[1-(2,4-dichlorophenylmethyl)-5-fluoro-3-methyl-1H-indol-7-yl]-acryloyl]amide | MS-30539 | 1030374-84-5 | BRD-K33272502-001-01-2 | GTPL5822 | DG 041 | DTSI | BFBTVZNKWXWKNZ-HWKANZROSA-N | F82019 | D-000151746
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
D288137-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
192,90US$
10mg
D288137-10mg
3
296,90US$
50mg
D288137-50mg
3
1.167,90US$
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

Store at 2-8°C Ships Wet ice 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.

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Literature proof

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

Specifications

Sinónimos
4, 5-dichloro-thiophene-2-sulfonic acid [(E)-3-[1-(2, 4-dichlorophenylmethyl)-5-fluoro-3-methyl-1H-indol-7-yl]-acryloyl]amide | MS-30539 | 1030374-84-5 | BRD-K33272502-001-01-2 | GTPL5822 | DG 041 | DTSI | BFBTVZNKWXWKNZ-HWKANZROSA-N | F82019 | D-000151746
Especificaciones y pureza
Moligand™, ≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
Potent and selective EP3antagonist (IC50= 4.6 nM). Inhibits PGE2facilitation of platelet aggregationin vitroandex vivo. Displays good plasma and metabolic stability. Does not affect bleeding time in rats. Antiplatelet and antithrombotic.
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
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 EP 3 receptor
Pureza
≥98%(HPLC)
Nombres e identificadores
Pubchem Sid504766260
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504766260
Sonrisas canónicasCC1=CN(C2=C(C=C(C=C12)F)C=CC(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=C(C=C(C=C4)Cl)Cl
IUPAC Name(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-N-(4,5-dichlorothiophen-2-yl)sulfonylprop-2-enamide
InChIKeyBFBTVZNKWXWKNZ-HWKANZROSA-N
INCHI1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Isómeros SMILES CC1=CN(C2=C(C=C(C=C12)F)/C=C/C(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=C(C=C(C=C4)Cl)Cl
Peso molecular 592.32
Reaxy-Rn 20283799
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20283799&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
SuperclassPhenylpropanoids and polyketides
ClaseCinnamic acids and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCinnamic acids and derivatives
Alternative Parents 3-methylindoles  N-alkylindoles  Styrenes  2,3,5-trisubstituted thiophenes  Dichlorobenzenes  Substituted pyrroles  Aryl chlorides  Aryl fluorides  Organosulfonic acids and derivatives  Aminosulfonyl compounds  Heteroaromatic compounds  Carboxylic acids and derivatives  Azacyclic compounds  Carbonyl compounds  Organochlorides  Organofluorides  Organic oxides  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Cinnamic acid or derivatives - 3-methylindole - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - 1,3-dichlorobenzene - Styrene - 2,3,5-trisubstituted thiophene - Chlorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Substituted pyrrole - Heteroaromatic compound - Aminosulfonyl compound - Thiophene - Sulfonyl - Pyrrole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP2C9 Tchem Cytochrome P450 2C9 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTGER3 Tclin Prostaglandin E2 receptor EP3 subtype (8 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTGER2 Tclin Prostanoid EP2 receptor (1730 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGIR Tclin Prostanoid IP receptor (1280 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGER1 Tclin Prostanoid EP1 receptor (1696 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGER4 Tclin Prostanoid EP4 receptor (2181 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGER3 Tclin Prostanoid EP3 receptor (1985 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeFechaArticulo
K2204282Certificate of AnalysisAug 12, 2025 D288137
K2204387Certificate of AnalysisAug 12, 2025 D288137
Propiedades químicas y físicas
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 59.23, Max Conc. mM: 100
Peso molecular592.300 g/mol
XLogP37.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass591.923 Da
Monoisotopic Mass589.926 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count35
Formal Charge0
Complexity908.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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