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· · COA & SDS available for every product · Same-day shipping on in-stock items PD-156707 - Moligand™ , Antagonist of ET A receptor, CAS No.162412-70-6, Antagonist of ET A receptor
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. Synonyms
DTXSID80635455 | Tox21_501201 | sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoate | PD-156707 | CCG-222505 | NCGC00261886-01 | HMS3263B04 | P-305 | Sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxy
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Synonyms
DTXSID80635455 | Tox21_501201 | sodium (Z)-2-(1, 3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3, 4, 5-trimethoxyphenyl)methyl]but-2-enoate | PD-156707 | CCG-222505 | NCGC00261886-01 | HMS3263B04 | P-305 | Sodium (Z)-2-(1, 3-benzodioxol-5-yl)-4-(4-methoxy
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of ET A receptor
Names and Identifiers Canonical Smiles COC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)[O-])CC4=CC(=C(C(=C4)OC)OC)OC.[Na+] IUPAC Name sodium;(Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoate InChIKey ZLHQEGFYBMZQGM-RKVLWQGQSA-M INCHI 1S/C28H26O9.Na/c1-32-19-8-5-17(6-9-19)26(29)20(11-16-12-23(33-2)27(35-4)24(13-16)34-3)25(28(30)31)18-7-10-21-22(14-18)37-15-36-21;/h5-10,12-14H,11,15H2,1-4H3,(H,30,31);/q;+1/p-1/b25-20-; Isomeric SMILES COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)[O-])/CC4=CC(=C(C(=C4)OC)OC)OC.[Na+] WGK Germany 3 RTECS DF4785000 Molecular Weight 528.48 Reaxy-Rn 7244323 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7244323&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 Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Linear 1,3-diarylpropanoids Subclass Chalcones and dihydrochalcones Intermediate Tree Nodes Not available Direct Parent Retro-dihydrochalcones Alternative Parents Retrochalcones Cinnamic acids and derivatives Butyrophenones Benzodioxoles Phenoxy compounds Anisoles Aryl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Carboxylic acid salts Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Aldehydes Hydrocarbon derivatives Organic sodium salts Organic cations Molecular Framework Aromatic heteropolycyclic compounds Substituents Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - Benzodioxole - Phenol ether - Phenoxy compound - Aryl ketone - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Ether - Organic alkali metal salt - Oxacycle - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Aldehyde - Organic cation - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 528.500 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 10 Exact Mass 528.14 Da Monoisotopic Mass 528.14 Da Topological Polar Surface Area 113.000 Ų Heavy Atom Count 38 Formal Charge 0 Complexity 811.000 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 2
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