Nonabine - Moligand™, ≥98% , Cannabinoid CB2 receptor agonist, CAS No.16985-03-8, Cannabinoid CB2 receptor agonist

CAS: 16985-03-8 Cat. No.: N612357 Formule: C₂₅H₃₃NO₂ Poids moléculaire: 379.54 PubChem CID: 71885

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS022181315 | Nonabine [INN:BAN] | DTXSID20864727 | Nonabine | Nonabinum | Q7049165 | SCHEMBL2111682 | 2,2-Dimethyl-7-(3-methyloctan-2-yl)-4-(pyridin-4-yl)-2H-1-benzopyran-5-ol | Nonabino | GTPL9235 | 2,2-dimethyl-7-(3-methyloctan-2-yl)-4-(pyridin-4-yl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Nonabine is a compound with strong antiemetic properties that can be used to prevent nausea and vomiting associated with cancer chemotherapy.

Specifications

Synonymes

AKOS022181315 | Nonabine [INN:BAN] | DTXSID20864727 | Nonabine | Nonabinum | Q7049165 | SCHEMBL2111682 | 2,2-Dimethyl-7-(3-methyloctan-2-yl)-4-(pyridin-4-yl)-2H-1-benzopyran-5-ol | Nonabino | GTPL9235 | 2,2-dimethyl-7-(3-methyloctan-2-yl)-4-(pyridin-4-yl)

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Cannabinoid CB2 receptor agonist

Pureté

≥98%

Propriétés du produit

• ALogP: 6.7

Noms et identifiants

• Sourires canoniques: CCCCCC(C(c1cc(O)c2c(c1)OC(C=C2c1ccncc1)(C)C)C)C
• IUPAC Name: 2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-ol
• InChIKey: YHUDSHIRWOVVCV-UHFFFAOYSA-N
• INCHI: 1S/C25H33NO2/c1-6-7-8-9-17(2)18(3)20-14-22(27)24-21(19-10-12-26-13-11-19)16-25(4,5)28-23(24)15-20/h10-18,27H,6-9H2,1-5H3
• Isomères SMILES: CCCCCC(C)C(C)C1=CC(=C2C(=C1)OC(C=C2C3=CC=NC=C3)(C)C)O
• PubChem CID: 71885
• Poids moléculaire: 379.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,2-dimethyl-1-benzopyrans
• Alternative Parents: Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,2-dimethyl-1-benzopyran - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 379.500 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 379.251 Da
• Monoisotopic Mass: 379.251 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 523.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 is this product shipped?

This product ships in an insulated container with ice pads. 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 16985-03-8, the molecular formula is C25H33NO2, and the molecular weight is 379.54 g/mol. InChIKey YHUDSHIRWOVVCV-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.