evocalcet - Moligand™ , Calcium sensing receptor positive allosteric modulator, CAS No.870964-67-3, Calcium sensing receptor positive allosteric modulator

CAS: 870964-67-3 Cat. No.: E610229 Summenformel: C₂₄H₂₆N₂O₂ Molekulargewicht: 374.48 EG-Nummer: 887-622-3 PubChem CID: 71242808

GRADE & PURITY Moligand™

Synonyms

LMPK12110188 | DTXSID101132784 | EVOCALCET [MI] | (4-((3S)-3-(((1R)-1-(1-Naphthyl)ethyl)amino)-1-pyrrolidinyl)phenyl)acetic acid | GTPL9042 | KHK7580KHK7580 | E58MLH082P | H43 | VJB96467 | DB12388 | Q27077250 | AKOS040741717 | MT-4580 | Evocalcet [INN] |

Storage

Room temperature

Specifications

Synonyme

LMPK12110188 | DTXSID101132784 | EVOCALCET [MI] | (4-((3S)-3-(((1R)-1-(1-Naphthyl)ethyl)amino)-1-pyrrolidinyl)phenyl)acetic acid | GTPL9042 | KHK7580KHK7580 | E58MLH082P | H43 | VJB96467 | DB12388 | Q27077250 | AKOS040741717 | MT-4580 | Evocalcet [INN] |

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ALLOSTERIC MODULATOR, POSITIVE ALLOSTERIC MODULATOR

Mechanismus der Wirkung

Calcium sensing receptor positive allosteric modulator

Produkteigenschaften

• ALogP: 2.1

Namen und Kennungen

• Kanonisches Lächeln: CC(C1=CC=CC2=CC=CC=C21)NC3CCN(C3)C4=CC=C(C=C4)CC(=O)O
• IUPAC Name: 2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]acetic acid
• InChIKey: RZNUIYPHQFXBAN-XLIONFOSSA-N
• INCHI: 1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
• Isomere SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCN(C3)C4=CC=C(C=C4)CC(=O)O
• PubChem CID: 71242808
• Molekulargewicht: 374.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Naphthalenes Dialkylarylamines Aniline and substituted anilines Aralkylamines Pyrroles Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylpyrrolidine - Naphthalene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

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CASR Tclin Extracellular calcium-sensing receptor (0 Activities)

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 374.500 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 374.199 Da
• Monoisotopic Mass: 374.199 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 517.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Häufig gestellte Fragen

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 870964-67-3, the molecular formula is C24H26N2O2, and the molecular weight is 374.48 g/mol. InChIKey RZNUIYPHQFXBAN-XLIONFOSSA-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.