The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items CGS 20625 - ≥99%(HPLC) , CAS No.111205-55-1
Synonyms
5,6,7,8,9,10-Hexahydro-2-(4-methoxyphenyl)cyclohepta[b]pyrazolo[3,4-d]pyridin-3(2H)-one. | CHEBI:93192 | Q5010987 | SCHEMBL9691852 | J-002543 | Cyclohepta(b)pyrazolo(3,4-d)pyridin-3(2H)-one, 5,6,7,8,9,10-hexahydro-2-(4-methoxyphenyl)- | LSM-3520 | PD03293
Shipped In
Ice chest + Ice pads
🧪
Why this grade ≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
📋
Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview partial agonist for the benzodiazepine binding site of the GABAA receptor
Specifications Synonyms
5, 6, 7, 8, 9, 10-Hexahydro-2-(4-methoxyphenyl)cyclohepta[b]pyrazolo[3, 4-d]pyridin-3(2H)-one. | CHEBI:93192 | Q5010987 | SCHEMBL9691852 | J-002543 | Cyclohepta(b)pyrazolo(3, 4-d)pyridin-3(2H)-one, 5, 6, 7, 8, 9, 10-hexahydro-2-(4-methoxyphenyl)- | LSM-3520 | PD03293
Specifications & Purity
≥99%(HPLC)
Biochemical and Physiological Mechanisms
Selective, partial agonist for the benzodiazepine binding site of the GABAAreceptor. Potently inhibits [3H]-flunitrazepam binding to central benzodiazepine receptors (IC50= 1.3 nM) and displays weak affinity for peripheral benzodiazepine (IC50= 0.68 - 2.2
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2 IUPAC Name 4-(4-methoxyphenyl)-3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-1,6,8-trien-5-one InChIKey UBLXQFIFWUEVGJ-UHFFFAOYSA-N INCHI 1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,20H,2-6H2,1H3 Isomeric SMILES COC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2 Molecular Weight 309.36 Reaxy-Rn 49422715 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49422715&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 Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Pyrazolopyridines Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Pyrazolones Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylpyrazole - Pyrazolopyridine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazolinone - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. 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:DMSO, Max Conc. mg/mL: 30.94, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.73, Max Conc. mM: 25 Molecular Weight 309.400 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 309.148 Da Monoisotopic Mass 309.148 Da Topological Polar Surface Area 54.500 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 436.000 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 1
Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
