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 Formule: C18H23FN2O2 Poids moléculaire: 318.4 PubChem CID: 3055171
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
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
Allemagne (EU)
USA*
Price
Qty
5mg
R613263-5mg
Sur commande · 8–12 semaines

991,74€

1 158,34€
Enregistrer 166,61 € (14.38%)
25mg
R613263-25mg
Sur commande · 8–12 semaines

1 488,09€

1 736,26€
Enregistrer 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

Synonymes
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]
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
ANTAGONIST
Mécanisme d'action
Serotonin 1a (5-HT1a) receptor antagonist
Propriétés du produit
ALogP2.8
Noms et identifiants
Sourires canoniquesC1CC(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
Isomères SMILES C1CC(C1)N([C@@H]2CC3=C(C=CC(=C3OC2)F)C(=O)N)C4CCC4
CAS alternatif 169758-66-1
PubChem CID 3055171
Termes d'entrée MeSH 3-N,N-dicyclobutylamino-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-carboxamide hydrogen tartrate monohydrate;NAD 299;NAD-299;robalzotan
Poids moléculaire 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
ClasseBenzopyrans
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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Cibles associées (non humaines)
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
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 moléculaire318.400 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
Calculateurs de solution
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