robalzotan - Moligand™ , Serotonin 1a (5-HT1a) receptor antagonist, CAS No.169758-66-1, Serotonin 1a (5-HT1a) receptor antagonist

CAS: 169758-66-1 Cat. No.: R613263 Fórmula: C18H23FN2O2 Peso molecular: 318.4 PubChem CID: 3055171
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.
Synonyms
Robalzotan | Q7340703 | (3R)-3-(di(cyclobutyl)amino)-8-fluorochroman-5-carboxamide | SCHEMBL115079 | (R)-3-(Dicyclobutylamino)-8-fluoro-5-chromancarboxamide | NAD299 | NAD-299 | [(3r)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2h-chromene-5-carboxamide]
Storage
Room temperature
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Size
Alemania (EU)
USA*
Price
Qty
5mg
R613263-5mg
Fabricado bajo pedido · 8–12 semanas

991,74€

1.158,34€
Guardar 166,61 € (14.38%)
25mg
R613263-25mg
Fabricado bajo pedido · 8–12 semanas

1.488,09€

1.736,26€
Guardar 248,17 € (14.29%)
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

Sinónimos
Robalzotan | Q7340703 | (3R)-3-(di(cyclobutyl)amino)-8-fluorochroman-5-carboxamide | SCHEMBL115079 | (R)-3-(Dicyclobutylamino)-8-fluoro-5-chromancarboxamide | NAD299 | NAD-299 | [(3r)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2h-chromene-5-carboxamide]
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
ANTAGONIST
Mecanismo de acción
Serotonin 1a (5-HT1a) receptor antagonist
Propiedades del producto
ALogP2.8
Nombres e identificadores
Sonrisas canónicasC1CC(C1)N(C2CCC2)C3CC4=C(C=CC(=C4OC3)F)C(=O)N
IUPAC Name(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
InChIKeyMQTUXRKNJYPMCG-CYBMUJFWSA-N
INCHI1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1
Isómeros SMILES C1CC(C1)N([C@@H]2CC3=C(C=CC(=C3OC2)F)C(=O)N)C4CCC4
CAS alternativo 169758-66-1
PubChem CID 3055171
Términos de entrada MeSH 3-N,N-dicyclobutylamino-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-carboxamide hydrogen tartrate monohydrate;NAD 299;NAD-299;robalzotan
Peso molecular 318.4

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
ClaseBenzopyrans
Subclass1-benzopyrans
Intermediate Tree Nodes Not available
Direct Parent1-benzopyrans
Alternative Parents 4-halobenzoic acids and derivatives  Aralkylamines  Alkyl aryl ethers  Aryl fluorides  Trialkylamines  Primary carboxylic acid amides  Amino acids and derivatives  Oxacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Alkyl aryl ether - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular318.400 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass318.174 Da
Monoisotopic Mass318.174 Da
Topological Polar Surface Area55.600 Ų
Heavy Atom Count23
Formal Charge0
Complexity438.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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

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