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· · COA & SDS available for every product · Same-day shipping on in-stock items DR 4485 hydrochloride - ≥98%(HPLC) , CAS No.402942-53-4
Synonyms
6-chloro-2a-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one;hydrochloride | DR4485 (hydrochloride) | 5BJV5NUM68 | HY-103126 | DR4485 HCl | Benz[cd]indol-2(1H)-one, 6-chloro-2a-[4-[4-(4-chlorophenyl)-3,6-dih
Storage
Room temperature,Desiccated
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Why this grade ≥98%(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
6-chloro-2a-[4-[4-(4-chlorophenyl)-3, 6-dihydro-2H-pyridin-1-yl]butyl]-1, 3, 4, 5-tetrahydrobenzo[cd]indol-2-one;hydrochloride | DR4485 (hydrochloride) | 5BJV5NUM68 | HY-103126 | DR4485 HCl | Benz[cd]indol-2(1H)-one, 6-chloro-2a-[4-[4-(4-chlorophenyl)-3, 6-dih
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
High affinity and selective 5-HT7antagonist (pKi= 8.14). Exhibits selectivity for 5-HT7over other 5-HT receptors. Inhibits 5-HT-induced cAMP accumulation in HEK-293 cells expressing the 5-HT7receptor. Orally bioavailable.
Storage
Room temperature, Desiccated
Names and Identifiers Canonical Smiles C1CC2=C(C=CC3=C2C(C1)(C(=O)N3)CCCCN4CCC(=CC4)C5=CC=C(C=C5)Cl)Cl.Cl IUPAC Name 6-chloro-2a-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one;hydrochloride InChIKey QAERYGXKDZHTFR-UHFFFAOYSA-N INCHI 1S/C26H28Cl2N2O.ClH/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31;/h5-11H,1-4,12-17H2,(H,29,31);1H Isomeric SMILES C1CC2=C(C=CC3=C2C(C1)(C(=O)N3)CCCCN4CCC(=CC4)C5=CC=C(C=C5)Cl)Cl.Cl PubChem CID 90488996 Molecular Weight 491.88
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 Isoindoles and derivatives Subclass Isoindolines Intermediate Tree Nodes Not available Direct Parent Isoindolones Alternative Parents Tetralins Indolines Aralkylamines Chlorobenzenes Hydropyridines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Isoindolone - Tetralin - Dihydroindole - Indole or derivatives - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Lactam - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 49.19, Max Conc. mM: 100 Molecular Weight 491.900 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 6 Exact Mass 490.135 Da Monoisotopic Mass 490.135 Da Topological Polar Surface Area 32.299 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 689.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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