GSK LSD1 Dihidrocloruro - Moligand™, ≥98% , Inhibitor of lysine demethylase 1A, CAS No.1431368-48-7, Inhibitor of lysine demethylase 1A

CAS: 1431368-48-7 Cat. No.: G338771 Peso molecular: 289.24

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-((1R,2S)-2-fenilciclopropil)piperidin-4-amina

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Compuesto que inhibe la proliferación celular en líneas celulares cancerosas. Lo consigue al ser un inhibidor irreversible de LSD1 basado en un mecanismo. La LSD1 forma parte de la familia de las aminooxidasas dependientes que incluyen las PAO y las MAO.

Specifications

Sinónimos

N-((1R, 2S)-2-fenilciclopropil)piperidin-4-amina

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of lysine demethylase 1A

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504772150
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772150
• Sonrisas canónicas: C1CNCCC1NC2CC2C3=CC=CC=C3
• IUPAC Name: N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
• InChIKey: BASFYRLYJAZPPL-UONOGXRCSA-N
• INCHI: 1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1
• Isómeros SMILES: C1CNCCC1N[C@@H]2C[C@H]2C3=CC=CC=C3
• WGK Alemania: 3
• CAS alternativo: 2102933-95-7
• Peso molecular: 289.24
• Reaxy-Rn: 27208703
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27208703&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Aminopiperidines Benzene and substituted derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - 4-aminopiperidine - Benzenoid - Piperidine - Monocyclic benzene moiety - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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

Objetivos asociados (humanos)

KDM1A Tchem Lysine-specific histone demethylase 1A (2 Activities)

Discover Target: KDM1A

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

THP-1 (11052 Activities)

Explore this target

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

A549 (127892 Activities)

Explore this target

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

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

Objetivos asociados (no 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

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 acción

Propiedades químicas y físicas

• Solubilidad: Soluble in PBS(pH7.2) (~10 mg/ml), ethanol (~0.1 mg/ml), DMSO (~25 mg/ml), DMF (~1 mg/ml), and water (20 mg/ml).
• Peso molecular: 216.320 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 216.163 Da
• Monoisotopic Mass: 216.163 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 217.000
• 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