PSB-SB-487 - Moligand™,≥99% , CAS No.1399049-81-0

CAS: 1399049-81-0 Cat. No.: P648326 Formule: C₂₆H₃₂O₄ Poids moléculaire: 408.53 PubChem CID: 70678101

GRADE & PURITY Moligand™, ≥99%

Synonyms

5-Hydroxy-3-(2-hydroxybenzyl)-7-(2-methylnonan-2-yl)-2h-chromen-2-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

PSB-SB-487 is a potent GPR55 antagonist and CB 2 agonist with an IC 50 value of 0.113 µM for GPR55 , and a K i value of 0.292 µM for human CB 2 . PSB-SB-487 can be used for researching diabetes, Parkinson’s disease, neuropathic pain, and cancer

Form:Solid

IC50& Target:IC 50 : 0.113 µM (GPR55), K i : 0.292 µM (CB 2 )

Specifications

Synonymes

5-Hydroxy-3-(2-hydroxybenzyl)-7-(2-methylnonan-2-yl)-2h-chromen-2-one

Spécifications et pureté

Moligand™,≥99%

Mécanismes biochimiques et physiologiques

PSB-SB-487 is a potent GPR55 antagonist and CB 2 agonist with an IC 50 value of 0.113 µM for GPR55 , and a K i value of 0.292 µM for human CB 2 . PSB-SB-487 can be used for researching diabetes, Parkinson’s disease, neuropathic pain, and cancer.

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

MODULATOR

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: CCCCCCCC(C)(C)C1=CC(=C2C=C(C(=O)OC2=C1)CC3=CC=CC=C3O)O
• IUPAC Name: 5-hydroxy-3-[(2-hydroxyphenyl)methyl]-7-(2-methylnonan-2-yl)chromen-2-one
• InChIKey: YNWOMOUVWNKICO-UHFFFAOYSA-N
• INCHI: 1S/C26H32O4/c1-4-5-6-7-10-13-26(2,3)20-16-23(28)21-15-19(25(29)30-24(21)17-20)14-18-11-8-9-12-22(18)27/h8-9,11-12,15-17,27-28H,4-7,10,13-14H2,1-3H3
• Isomères SMILES: CCCCCCCC(C)(C)C1=CC(=C2C=C(C(=O)OC2=C1)CC3=CC=CC=C3O)O
• PubChem CID: 70678101
• Termes d'entrée MeSH: 7-(1,1-dimethyloctyl)-5-hydroxy-3-(2-hydroxybenzyl)-2H-chromen-2-one;PSB-SB-487
• Poids moléculaire: 408.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycoumarins
• Alternative Parents: 1-benzopyrans Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.
• 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

Cibles associées (humaines)

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GPR55 Tclin G-protein coupled receptor 55 (1594 Activities)

Discover Target: GPR55

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (244.78 mM; Need ultrasonic)
• Poids moléculaire: 408.500 g/mol
• XLogP3: 8.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 408.23 Da
• Monoisotopic Mass: 408.23 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 596.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

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 1399049-81-0, the molecular formula is C26H32O4, and the molecular weight is 408.53 g/mol. InChIKey YNWOMOUVWNKICO-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.