befetupitant - Moligand™ , Antagonist of NK 1 receptor, CAS No.290296-68-3, Antagonist of NK 1 receptor

CAS: 290296-68-3 Cat. No.: B607976 PubChem CID: 6450815
DISPONIBLE À COMMANDE
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.
Synonyms
SCHEMBL1399438 | Ro-675930 | Ro67-5930 | Befetupitant | BEFETUPITANT [INN] | HY-19670 | L020644 | Befetupitant [USAN:INN] | GTPL5759 | BDBM50178561 | Benzeneacetamide, N,alpha,alpha-trimethyl-N-(4-(2-methylphenyl)-6-(morpholin-4-yl)-pyridin-3-yl)-N-methyl
Storage
Room temperature
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Size
Allemagne (EU)
USA*
Price
Qty
5mg
B607976-5mg
Sur commande · 8–12 semaines
694,10€
25mg
B607976-25mg
Sur commande · 8–12 semaines
1 041,20€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Synonymes
SCHEMBL1399438 | Ro-675930 | Ro67-5930 | Befetupitant | BEFETUPITANT [INN] | HY-19670 | L020644 | Befetupitant [USAN:INN] | GTPL5759 | BDBM50178561 | Benzeneacetamide, N,alpha,alpha-trimethyl-N-(4-(2-methylphenyl)-6-(morpholin-4-yl)-pyridin-3-yl)-N-methyl
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
ANTAGONIST
Mécanisme d'action
Antagonist of NK 1 receptor
Noms et identifiants
Sourires canoniquesCC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl]propanamide
InChIKeyZGNPLCMMVKCTHM-UHFFFAOYSA-N
INCHI1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3
Isomères SMILES CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4
CAS alternatif 290296-68-3
PubChem CID 6450815
Termes d'entrée MeSH befetupitant

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
SuperclassOrganoheterocyclic compounds
ClassePyridines and derivatives
SubclassPhenylpyridines
Intermediate Tree Nodes Not available
Direct ParentPhenylpyridines
Alternative Parents Trifluoromethylbenzenes  Phenylacetamides  Phenylpropanes  Dialkylarylamines  Toluenes  Aminopyridines and derivatives  Imidolactams  Morpholines  Tertiary carboxylic acid amides  Heteroaromatic compounds  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Alkyl fluorides  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organofluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 4-phenylpyridine - Trifluoromethylbenzene - Phenylacetamide - Phenylpropane - Dialkylarylamine - Aminopyridine - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
TACR1 Tclin Substance-P receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TACR1 Tclin Neurokinin 1 receptor (6273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire565.500 g/mol
XLogP36.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass565.216 Da
Monoisotopic Mass565.216 Da
Topological Polar Surface Area45.700 Ų
Heavy Atom Count40
Formal Charge0
Complexity838.000
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
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

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 290296-68-3. InChIKey ZGNPLCMMVKCTHM-UHFFFAOYSA-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.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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