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· · COA & SDS available for every product · Same-day shipping on in-stock items S-EMCA - Moligand™ , Agonist of GPBA receptor, CAS No.1199796-29-6, Agonist of GPBA 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
FX0 | 6alpha-Ethyl-23(S)-methylcholic acid | 6alpha-ethyl-23(S)-methyl-cholic acid | 6alpha-ethyl-23(s)-methyl-3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid | MS-28184 | HY-15677 | UNII-UTD8BCW6B8 | 6.ALPHA.-ETHYL-23(S)-METHYLCHOLIC ACID | Cho
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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
FX0 | 6alpha-Ethyl-23(S)-methylcholic acid | 6alpha-ethyl-23(S)-methyl-cholic acid | 6alpha-ethyl-23(s)-methyl-3alpha, 7alpha, 12alpha-trihydroxy-5beta-cholan-24-oic acid | MS-28184 | HY-15677 | UNII-UTD8BCW6B8 | 6.ALPHA.-ETHYL-23(S)-METHYLCHOLIC ACID | Cho
Specifications & Purity
Moligand™
Mechanism of action
Agonist of GPBA receptor
Names and Identifiers Canonical Smiles CCC1C2CC(CCC2(C3CC(C4(C(C3C1O)CCC4C(C)CC(C)C(=O)O)C)O)C)O IUPAC Name (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid InChIKey NPBCMXATLRCCLF-IRRLEISYSA-N INCHI 1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1 Isomeric SMILES CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O PubChem CID 45483949 Molecular Weight 450.65
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 Lipids and lipid-like molecules Class Steroids and steroid derivatives Subclass Bile acids, alcohols and derivatives Intermediate Tree Nodes Hydroxy bile acids, alcohols and derivatives Direct Parent Trihydroxy bile acids, alcohols and derivatives Alternative Parents 7-hydroxysteroids 3-alpha-hydroxysteroids 12-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Polyols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic homopolycyclic compounds Substituents Trihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Cyclic alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Polyol - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aliphatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. 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 450.700 g/mol XLogP3 4.900 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 5 Exact Mass 450.335 Da Monoisotopic Mass 450.335 Da Topological Polar Surface Area 98.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 710.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 13 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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