Vafidemstat - ≥98% , CAS No.1357362-02-7

CAS: 1357362-02-7 Cat. No.: V647279 Summenformel: C₁₉H₂₀N₄O₂ Molekulargewicht: 336.39 PubChem CID: 66714983

GRADE & PURITY ≥98%

Synonyms

(1R,2S)-2-(4-(Benzyloxy)phenyl)-N-((5-imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)methyl)cyclopropanamine | MS-25100 | BCP29383 | ORY 2001; ORY-2001; ORY2001 | AKOS040742807 | UNII-LZ82JLT4UP | 1357362-02-7 | 1,3,4-Oxadiazole-2-methanamine, 4,5-dihydro-5-imino

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

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

Specifications

Synonyme

(1R,2S)-2-(4-(Benzyloxy)phenyl)-N-((5-imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)methyl)cyclopropanamine | MS-25100 | BCP29383 | ORY 2001; ORY-2001; ORY2001 | AKOS040742807 | UNII-LZ82JLT4UP | 1357362-02-7 | 1,3,4-Oxadiazole-2-methanamine, 4,5-dihydro-5-imino

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Vafidemstat (ORY-2001) is an oral, brain penetrant, dual lysine-specific histone demethylase ( LSD1 )/ MAO-B inhibitor.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: C1[C@H]([C@@H]1NCC2=NN=C(O2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4
• Alternative CAS-Nummer: 1357362-02-7
• PubChem CID: 66714983
• MeSH-Eintrag: (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
• Molekulargewicht: 336.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 50 mg/mL (148.64 mM; Need ultrasonic)
• Molekulargewicht: 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

Häufig gestellte Fragen

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.

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 1357362-02-7, the molecular formula is C19H20N4O2, and the molecular weight is 336.39 g/mol. InChIKey XBBRLCXCBCZIOI-DLBZAZTESA-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.