Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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
| カノニカル・スマイル | 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) |
| 異性体SMILES | C1CC2=C(C=CC(=C2)OC3=NC=C(C=C3)NC(=O)CN4CCC(CC4)O)OC1C5=CC=CC=C5 |
| PubChem CID | 69016811 |
| MeSH用語 | 2-(4-hydroxypiperidin-1-yl)-N-(6-((2-phenylchroman-6-yl)oxy)yridine-3-yl)acetamide;ORM-10962 |
| 分子量 | 459.54 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| 分類 | 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 |
| 説明 | 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 |
| 溶解度 | DMSO : 250 mg/mL (544.02 mM; Need ultrasonic) |
|---|---|
| 分子量 | 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 |
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