Aloperine - 10mM in Water , CAS No.56293-29-9

CAS: 56293-29-9 Cat. No.: A580295 Fórmula: C₁₅H₂₄N₂ Peso molecular: 232.36 Número EC: 637-202-9

CALIDAD & PUREZA 10mM in Water

Synonyms

(1R,2S,9R,10R)-3,15-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)?,(1)?]HEPTADEC-7-ENE | Aloperine, 96% | Alop1 compound | CCG-266811 | HY-13516 | (1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadec-7-ene | HMS3656I19 | InChI=1/C5H11NO/c1-5(2,3)6-4-7

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificaciones

Sinónimos

(1R,2S,9R,10R)-3,15-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)?,(1)?]HEPTADEC-7-ENE | Aloperine, 96% | Alop1 compound | CCG-266811 | HY-13516 | (1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadec-7-ene | HMS3656I19 | InChI=1/C5H11NO/c1-5(2,3)6-4-7

Especificaciones y pureza

10mM in Water

Mecanismos bioquímicos y fisiológicos

Aloperine is an alkaloid with antiviral, anticancer, antioxidant, and anti-inflammatory activity. It has shown antifibrotic activity in mouse models of pulmonary fibrosis, anticancer activity in human osteosarcoma and thyroid cancer cells, neuroprotective

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528775217

Sonrisas canónicas

C1CCN2CC3CC(C2C1)C=C4C3NCCC4

IUPAC Name

(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene

InChIKey

SKOLRLSBMUGVOY-GBJTYRQASA-N

INCHI

1S/C15H24N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-16H,1-7,9-10H2/t12-,13+,14+,15+/m0/s1

Isómeros SMILES

C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C=C4[C@H]3NCCC4

Peso molecular

232.36

Reaxy-Rn

8212917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8212917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Lupin alkaloids
      • Subclass Aloperine and related alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Lupin alkaloids
• Subclass: Aloperine and related alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aloperine and related alkaloids
• Alternative Parents: Quinolizidines Piperidines Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Aloperine skeleton - Quinolizidine - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aloperine and related alkaloids. These are lupin Alkaloids with a structure based on the aloperine skeleton. Aloperine is a tetracyclic compound made up of a quinolizidine and a decahydroquinoline joined to form 3,15-diazatetracycloheptadecane.
• 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)

MT4 (17854 Activities)

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HEK-293T (167025 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Hepatitis C virus (23859 Activities)

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Vesicular stomatitis virus (4460 Activities)

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Influenza A virus (11224 Activities)

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MDCK (10148 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Marburgvirus (118 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 2 mg/mL, clear
• Sensibilidad: Sensitive to humidity
• Rotación específica [α]: 73°～ 89°
• Punto de fusión (°C): 67-72（ °C）
• Peso molecular: 232.360 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 232.194 Da
• Monoisotopic Mass: 232.194 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 336.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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