≥98% 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.
Vafidemstat (ORY-2001) is an oral, brain penetrant, dual lysine-specific histone demethylase ( LSD1 )/ MAO-B inhibitor
In Vitro
Vafidemstat (ORY-2001), a dual LSD1/MAO-B inhibitor, is a novel epigenetic agent for the treatment of neurodegenerative diseases. LSD1 is a protein that participates in transcription regulation complexes; its modulation can be used to tweak transcriptional imbalances in neurodegenerative disease and redress neuroinflammation and cognitive deficit. Vafidemstat (ORY-2001) can be used in the treatment of Alzheimer's disease. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:LSD1/MAO-B
| Canonical Smiles | C1C(C1NCC2=NN=C(O2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine |
| InChIKey | XBBRLCXCBCZIOI-DLBZAZTESA-N |
| INCHI | 1S/C19H20N4O2/c20-19-23-22-18(25-19)11-21-17-10-16(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2,(H2,20,23)/t16-,17+/m0/s1 |
| Isomeric SMILES | C1[C@H]([C@@H]1NCC2=NN=C(O2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4 |
| Alternate CAS | 1357362-02-7 |
| PubChem CID | 66714983 |
| MeSH Entry Terms | (1R,2S)-2-(4-(Benzyloxy)phenyl)-N-((5-imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)methyl)cyclopropanamine;1,3,4-Oxadiazole-2-methanamine, 4,5-dihydro-5-imino-N-((1R,2S)-2-(4-(phenylmethoxy)phenyl)cyclopropyl)-;ORY-2001;vafidemstat |
| Molecular Weight | 336.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Aralkylamines Alkyl aryl ethers Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Dialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - Oxadiazole - Oxacycle - Azacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Solubility | DMSO : 50 mg/mL (148.64 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 336.400 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 336.159 Da |
| Monoisotopic Mass | 336.159 Da |
| Topological Polar Surface Area | 86.200 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 410.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
