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· · COA & SDS available for every product · Same-day shipping on in-stock items GR 125487 sulfamate - ≥97%(HPLC) , CAS No.859502-43-5
Synonyms
5-Fluoro-2-methoxy-[1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]-1H-indole-3-methylcarboxylate sulfamate
Storage
Room temperature,Desiccated
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Why this grade ≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated 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.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
5-Fluoro-2-methoxy-[1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]-1H-indole-3-methylcarboxylate sulfamate
Specifications & Purity
≥97%(HPLC)
Biochemical and Physiological Mechanisms
Potent and selective 5-HT4receptor antagonist (Ki= 0.19 nM for porcine 5-HT4). Centrally active following systemic administrationin vivo.
Storage
Room temperature, Desiccated
Names and Identifiers Canonical Smiles COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C.NS(=O)(=O)O IUPAC Name [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate;sulfamic acid InChIKey VQJFDBXITIOGJM-UHFFFAOYSA-N INCHI 1S/C19H26FN3O5S.H3NO3S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26;1-5(2,3)4/h3-4,11,13,21-22H,5-10,12H2,1-2H3;(H3,1,2,3,4) Isomeric SMILES COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C.NS(=O)(=O)O Molecular Weight 524.58 Reaxy-Rn 24576378 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24576378&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 Organoheterocyclic compounds Class Indoles and derivatives Subclass Indolecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Indolecarboxylic acids and derivatives Alternative Parents Indoles Pyrrole carboxylic acids and derivatives Alkyl aryl ethers Aryl fluorides Benzenoids Organic sulfonamides Organosulfonamides Piperidines Sulfuric acid monoamides Substituted pyrroles Heteroaromatic compounds Aminosulfonyl compounds Vinylogous amides Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid derivative - Indole - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - Sulfuric acid monoamide - Aryl halide - Piperidine - Substituted pyrrole - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Aryl fluoride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Aminosulfonyl compound - Vinylogous amide - Heteroaromatic compound - Organic sulfuric acid or derivatives - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. 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 Solubility Solvent:water, Max Conc. mg/mL: 4.27, Max Conc. mM: 10 with gentle warming Molecular Weight 524.600 g/mol XLogP3 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 9 Exact Mass 524.141 Da Monoisotopic Mass 524.141 Da Topological Polar Surface Area 198.000 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 743.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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 2
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