OG-L002 - Moligand™, ≥98%(HPLC) , Inhibitor of lysine demethylase 1A, CAS No.1357302-64-7, Inhibitor of lysine demethylase 1A

CAS: 1357302-64-7 Cat. No.: O288423 Fórmula: C₁₅H₁₅NO Peso molecular: 225.29

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

4'-((1R,2S)-2-aminocyclopropyl)biphenyl-3-ol | 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol | 4′-((1R,2S)-2-Aminocyclopropyl)-[1,1′-biphenyl]-3-ol | OG-L002

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4'-((1R,2S)-2-aminocyclopropyl)biphenyl-3-ol | 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol | 4′-((1R,2S)-2-Aminocyclopropyl)-[1,1′-biphenyl]-3-ol | OG-L002

Especificações e pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potent LSD1 inhibitor (IC50= 20 nM). Exhibits some selectivity for LSD1 over MAO-B and MAO-A (IC50values are 0.72 and 1.38 μM, respectively). Inhibits herpes simplex virus (HSV) immediate early gene expression and viral yieldin vitro. Suppresses HSV prima

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of lysine demethylase 1A

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504771423
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771423
• Sorrisos canónicos: C1C(C1N)C2=CC=C(C=C2)C3=CC(=CC=C3)O
• IUPAC Name: 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol
• InChIKey: DSOJSZXQRJGBCW-CABCVRRESA-N
• INCHI: 1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1
• SMILES isoméricas: C1[C@@H]([C@H]1N)C2=CC=C(C=C2)C3=CC(=CC=C3)O
• Peso molecular: 225.29
• Reaxy-Rn: 24370232
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24370232&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Alvos associados (humanos)

KDM1A Tchem Lysine-specific histone demethylase 1A (3 Activities)

Discover Target: KDM1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KDM1A Tchem Lysine-specific histone demethylase 1 (3916 Activities)

Discover Target: KDM1A

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Schistosoma mansoni (6170 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 22.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 22.53, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 4.51, Max Conc. mM: 20
• Peso molecular: 225.280 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 225.115 Da
• Monoisotopic Mass: 225.115 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 260.000
• 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