Aloperine - Moligand™, ≥98% , CAS No.56293-29-9

CAS: 56293-29-9 Cat. No.: A129926 Fórmula: C₁₅H₂₄N₂ Peso molecular: 232.36 Número CE: 637-202-9

GRAU & PUREZA Moligand™, ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Especificações

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

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e 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

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™

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504757523

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757523

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Lupin alkaloids
      • Subclass Aloperine and related alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

MT4 (17854 Activities)

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HEK-293T (167025 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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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)

Discover Target: rep

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Marburgvirus (118 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO: 2 mg/mL, clear
• Sensibilidade: Sensitive to humidity
• Rotação específica [α]: 73°～ 89°
• Ponto de fusão (°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