tecalcet - Moligand™ , Allosteric modulator of CaS receptor, CAS No.148717-54-8, Allosteric modulator of CaS receptor

CAS: 148717-54-8 Cat. No.: T614365 PubChem CID: 158797

GRADE & PURITY Moligand™

Synonyms

(r)-N-(3-methoxy-alpha-phenylethyl) -3-(2-chlorophenyl)-1-propylamine | R 568 | NPS-R568 | NPS-R-568 | 8I16YLE4US | Q27088954 | Tecalcet [INN] | NCGC00344508-01 | GTPL718 | NPS R 568 | ZVQUCWXZCKWZBP-CQSZACIVSA-N | NPS R568 | Tecalcet | 9IG | 3-(2-chlorop

Storage

Room temperature

Specifications

Sinónimos

(r)-N-(3-methoxy-alpha-phenylethyl) -3-(2-chlorophenyl)-1-propylamine | R 568 | NPS-R568 | NPS-R-568 | 8I16YLE4US | Q27088954 | Tecalcet [INN] | NCGC00344508-01 | GTPL718 | NPS R 568 | ZVQUCWXZCKWZBP-CQSZACIVSA-N | NPS R568 | Tecalcet | 9IG | 3-(2-chlorop

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

ALLOSTERIC MODULATOR

Mecanismo de ação

Allosteric modulator of CaS receptor

Nomes e identificadores

• Sorrisos canónicos: CC(C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2Cl
• IUPAC Name: 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine
• InChIKey: ZVQUCWXZCKWZBP-CQSZACIVSA-N
• INCHI: 1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1
• SMILES isoméricas: C[C@H](C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2Cl
• CAS alternativo: 148717-54-8
• PubChem CID: 158797
• Termos de entrada MeSH: (R)-N-(3-methoxy-alpha-phenylethyl)-3-(2'-chlorphenyl)-1-(propylamine hydrochloride);A568 compound;KRN568;N-(2-chlorophenylpropyl)-1-(3-methoxyphenyl)ethylamine;N-(3-(2-chlorophenyl)propyl)-R-alpha-methyl-3-methoxybenxylamine hydrochloride;N-(3-methoxy-al

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Dialkylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropylamine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Ether - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
• 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.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

CASR Tclin Extracellular calcium-sensing receptor (2 Activities)

Discover Target: CASR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CASR Tclin Calcium sensing receptor (766 Activities)

Discover Target: CASR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Rattus norvegicus (775804 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 303.800 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 303.139 Da
• Monoisotopic Mass: 303.139 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 286.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 148717-54-8. InChIKey ZVQUCWXZCKWZBP-CQSZACIVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.