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· · COA & SDS available for every product · Same-day shipping on in-stock items Calhex 231 - Moligand™, ≥98% , Allosteric modulator of CaS receptor, CAS No.652973-93-8, Allosteric modulator of CaS 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. ≥98% Synonyms
4-Chloro-N-[(1S,2S)-2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]cyclohexyl]benzamide
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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.
Overview Shipped at room temperature. Store at -20°C.
Specifications Synonyms
4-Chloro-N-[(1S, 2S)-2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]cyclohexyl]benzamide
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Negative allosteric modulator of calcium-sensing receptor (CaSR). CaSR calcilytic. Blocks (IC 50 = 0.39\xa0μM) increases in\xa0[ 3 H]inositol phosphates due to CaSR activation.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ALLOSTERIC MODULATOR
Mechanism of action
Allosteric modulator of CaS receptor
Names and Identifiers Canonical Smiles CC(C1=CC=CC2=CC=CC=C21)NC3CCCCC3NC(=O)C4=CC=C(C=C4)Cl IUPAC Name 4-chloro-N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide InChIKey YTFUQWWKTIWYEY-CQLNOVPUSA-N INCHI 1S/C25H27ClN2O/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)27-23-11-4-5-12-24(23)28-25(29)19-13-15-20(26)16-14-19/h2-3,6-10,13-17,23-24,27H,4-5,11-12H2,1H3,(H,28,29)/t17-,23+,24+/m1/s1 Isomeric SMILES C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCCC[C@@H]3NC(=O)C4=CC=C(C=C4)Cl Molecular Weight 406.95 Reaxy-Rn 43911684 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43911684&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 Benzenoids Class Naphthalenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Naphthalenes Alternative Parents 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Cyclohexylamines Chlorobenzenes Aralkylamines Aryl chlorides Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents Naphthalene - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Cyclohexylamine - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Amine - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 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 Soluble in DMSO to 50 mM Molecular Weight 406.900 g/mol XLogP3 5.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 5 Exact Mass 406.181 Da Monoisotopic Mass 406.181 Da Topological Polar Surface Area 41.100 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 533.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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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