Tradipitant - Moligand™, ≥97% , Neurokinin 1 receptor antagonist, CAS No.622370-35-8, Neurokinin 1 receptor antagonist

CAS: 622370-35-8 Cat. No.: T176963 Fórmula: C28H16ClF6N5O Peso molecular: 587.903 PubChem CID: 9916461
Disponible para pedir
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. ≥97%
Synonyms
NY0COC51FI | STL564766 | {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chloro-phenyl)-methanone | LY686017
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Alemania (EU)
USA*
Price
Qty
25mg
T176963-25mg
Fabricado bajo pedido · 8–12 semanas
104,04€
100mg
T176963-100mg
—
2 Disponible
338,33€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

Specifications

Sinónimos
NY0COC51FI | STL564766 | {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chloro-phenyl)-methanone | LY686017
Especificaciones y pureza
Moligand™, ≥97%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
ANTAGONIST
Mecanismo de acción
Neurokinin 1 receptor antagonist
Pureza
≥97%
Propiedades del producto
ALogP6.2
Nombres e identificadores
Pubchem Sid528772038
Sonrisas canónicasC1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl
IUPAC Name[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanone
InChIKeyCAVRKWRKTNINFF-UHFFFAOYSA-N
INCHI1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
Isómeros SMILES C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl
PubChem CID 9916461
Peso molecular 587.903

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAryl-phenylketones
Alternative Parents Pyridyl-1,2,3-triazoles  Trifluoromethylbenzenes  Pyridinecarboxylic acids and derivatives  Benzoyl derivatives  Chlorobenzenes  Aryl chlorides  Heteroaromatic compounds  Vinylogous halides  Triazoles  Azacyclic compounds  Organonitrogen compounds  Organofluorides  Organochlorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aryl-phenylketone - Pyridyltriazole - Pyridyl-1,2,3-triazole - Trifluoromethylbenzene - Pyridine carboxylic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Triazole - Vinylogous halide - Heteroaromatic compound - 1,2,3-triazole - Azole - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TACR1 Tclin Substance-P receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeFechaArticulo
H2621379Certificate of AnalysisJul 28, 2026 T176963
H2621380Certificate of AnalysisJul 28, 2026 T176963
H2521627Certificate of AnalysisMay 19, 2025 T176963
Propiedades químicas y físicas
Peso molecular587.900 g/mol
XLogP36.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass587.095 Da
Monoisotopic Mass587.095 Da
Topological Polar Surface Area73.600 Ų
Heavy Atom Count41
Formal Charge0
Complexity865.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

Reseñas de cliente

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