LY 288513 - Moligand™, ≥98%(HPLC) , Antagonist of CCK 2 receptor, CAS No.147523-65-7, Antagonist of CCK 2 receptor

CAS: 147523-65-7 Cat. No.: L288735 Summenformel: C₂₂H₁₈BrN₃O₂ Molekulargewicht: 436.3

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

HMS3412H13 | Q27082731 | BRD-K24675965-001-02-5 | LY288513 | LY-288513 | 1-Pyrazolidinecarboxamide, N-(4-bromophenyl)-3-oxo-4,5-diphenyl-, (4S,5R)- | BDBM50092155 | BRD-K24675965-001-03-3 | SR-01000630775-1 | 3-Oxo-4,5-diphenyl-pyrazolidine-1-carboxylic a

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

HMS3412H13 | Q27082731 | BRD-K24675965-001-02-5 | LY288513 | LY-288513 | 1-Pyrazolidinecarboxamide, N-(4-bromophenyl)-3-oxo-4,5-diphenyl-, (4S,5R)- | BDBM50092155 | BRD-K24675965-001-03-3 | SR-01000630775-1 | 3-Oxo-4,5-diphenyl-pyrazolidine-1-carboxylic a

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Biochemische und physiologische Mechanismen

Selective CCK2receptor antagonist (IC50values are 16 and > 30,000 nM for CCK2and CCK1respectively). Displays anxiolytic and antipsychotic propertiesin vivo.

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of CCK 2 receptor

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C(C=C1)C2C(N(NC2=O)C(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4
• IUPAC Name: (4S,5R)-N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide
• InChIKey: LMUQHXHWJWQXSD-PMACEKPBSA-N
• INCHI: 1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)/t19-,20-/m0/s1
• Isomere SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](N(NC2=O)C(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4
• Alternative CAS-Nummer: 147523-65-7
• MeSH-Eintrag: 1-(4-bromophenylaminocarbonyl)-4,5-diphenyl-3-pyrazolidinone;LY 262691;LY 288512;LY 288513;LY-262691;LY-288512;LY262691;LY288513
• Molekulargewicht: 436.3
• Reaxy-Rn: 13568691
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13568691&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: N-phenylureas Bromobenzenes Pyrazolidinones Aryl bromides Semicarbazides Organic carbonic acids and derivatives Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - N-phenylurea - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazolidinone - Semicarbazide - Pyrazolidine - Carboxylic acid hydrazide - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Zugehörige Ziele (menschlich)

CCKBR Tclin Gastrin/cholecystokinin type B receptor (1 Activities)

Discover Target: CCKBR

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

CCKBR Tclin Cholecystokinin B receptor (3550 Activities)

Discover Target: CCKBR

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

CCKBR Tclin Cholecystokinin receptor (506 Activities)

Discover Target: CCKBR

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

Zugehörige Ziele (nicht menschlich)

Cckar Cholecystokinin A receptor (90 Activities)

Discover Target: Cckar

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 43.63, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 43.63, Max Conc. mM: 100
• Molekulargewicht: 436.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 435.058 Da
• Monoisotopic Mass: 435.058 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 552.000
• 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 the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 147523-65-7, the molecular formula is C22H18BrN3O2, and the molecular weight is 436.3 g/mol. InChIKey LMUQHXHWJWQXSD-PMACEKPBSA-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.