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· · COA & SDS available for every product · Same-day shipping on in-stock items retosiban - Moligand™ , Oxytocin receptor antagonist, CAS No.820957-38-8, Oxytocin receptor antagonist
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
GTPL8403 | (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione | Retosiban (USAN) | s7383 | BDBM50022749 | (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-
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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
GTPL8403 | (3R, 6R)-3-(2, 3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1, 3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2, 5-piperazinedione | Retosiban (USAN) | s7383 | BDBM50022749 | (3R, 6R)-3-(2, 3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-
Specifications & Purity
Moligand™
Mechanism of action
Oxytocin receptor antagonist
Product Properties Names and Identifiers Canonical Smiles CCC(C)C1C(=O)NC(C(=O)N1C(C2=COC(=N2)C)C(=O)N3CCOCC3)C4CC5=CC=CC=C5C4 IUPAC Name (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione InChIKey PLVGDGRBPMVYPB-FDUHJNRSSA-N INCHI 1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 Isomeric SMILES CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=COC(=N2)C)C(=O)N3CCOCC3)C4CC5=CC=CC=C5C4 Alternate CAS 820957-38-8 PubChem CID 11340891 MeSH Entry Terms (3R,6R)-3-Indan-2-yl-1-((1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl)-6-((1S)-1-methylpropyl)-2,5-piperazinedione;GSK221149A;retosiban Molecular Weight 494.6
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 Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Peptides Direct Parent Dipeptides Alternative Parents N-piperazineacetamides Alpha amino acids and derivatives Indanes 2,5-dioxopiperazines 2,4-disubstituted oxazoles N-alkylpiperazines Morpholines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Alpha-dipeptide - Alpha-amino acid or derivatives - N-piperazineacetamide - Indane - Dioxopiperazine - 2,5-dioxopiperazine - 2,4-disubstituted 1,3-oxazole - N-alkylpiperazine - 1,4-diazinane - Morpholine - Oxazinane - Piperazine - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. 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 494.600 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 6 Exact Mass 494.253 Da Monoisotopic Mass 494.253 Da Topological Polar Surface Area 105.000 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 819.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 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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