ORM-10962 - Moligand™,≥99% , CAS No.763926-98-3

CAS: 763926-98-3 Cat. No.: O647529 Formule: C₂₇H₂₉N₃O₄ Poids moléculaire: 459.54 PubChem CID: 69016811

GRADE & PURITY Moligand™, ≥99%

Synonyms

2-(4-Hydroxypiperidin-1-yl)-N-(6-((2-phenylchroman-6-yl)oxy)pyridin-3-yl)acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

ORM-10962 is a potent, highly selective sodium-calcium exchanger (NCX) inhibitor, with IC 50 values of 67 and 55 nM for the reverse and forward mode inhibition, respectively. ORM-10962 shows antiarrhythmic effect

Specifications

Synonymes

2-(4-Hydroxypiperidin-1-yl)-N-(6-((2-phenylchroman-6-yl)oxy)pyridin-3-yl)acetamide

Spécifications et pureté

Moligand™,≥99%

Mécanismes biochimiques et physiologiques

ORM-10962 is a potent, highly selective sodium-calcium exchanger (NCX) inhibitor, with IC 50 values of 67 and 55 nM for the reverse and forward mode inhibition, respectively. ORM-10962 shows antiarrhythmic effect.

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

INHIBITOR

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: C1CC2=C(C=CC(=C2)OC3=NC=C(C=C3)NC(=O)CN4CCC(CC4)O)OC1C5=CC=CC=C5
• IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-N-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-yl]acetamide
• InChIKey: UPGUBLDTYLMRHO-UHFFFAOYSA-N
• INCHI: 1S/C27H29N3O4/c31-22-12-14-30(15-13-22)18-26(32)29-21-7-11-27(28-17-21)33-23-8-10-25-20(16-23)6-9-24(34-25)19-4-2-1-3-5-19/h1-5,7-8,10-11,16-17,22,24,31H,6,9,12-15,18H2,(H,29,32)
• Isomères SMILES: C1CC2=C(C=CC(=C2)OC3=NC=C(C=C3)NC(=O)CN4CCC(CC4)O)OC1C5=CC=CC=C5
• PubChem CID: 69016811
• Termes d'entrée MeSH: 2-(4-hydroxypiperidin-1-yl)-N-(6-((2-phenylchroman-6-yl)oxy)yridine-3-yl)acetamide;ORM-10962
• Poids moléculaire: 459.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavans

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavans
• Alternative Parents: Alpha amino acid amides Diarylethers 1-benzopyrans N-arylamides Alkyl aryl ethers Pyridines and derivatives Piperidines Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavan - Alpha-amino acid amide - Diaryl ether - 1-benzopyran - Benzopyran - Chromane - Alpha-amino acid or derivatives - N-arylamide - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavans. These are compounds containing a flavan moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 250 mg/mL (544.02 mM; Need ultrasonic)
• Poids moléculaire: 459.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 459.216 Da
• Monoisotopic Mass: 459.216 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 763926-98-3, the molecular formula is C27H29N3O4, and the molecular weight is 459.54 g/mol. InChIKey UPGUBLDTYLMRHO-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.