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Aloperine - 10mM in Water, high purity , CAS No.56293-29-9(Water)
Basic Description
Synonyms
Aloperine | 56293-29-9 | 463944-91-4 | (6r,6ar,13r,13as)-1,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-2h-6,13-methanodipyrido[1,2-a:3',2'-e]azocine | 6-epi-aloperine | (6R,6aR,13R,13aS)-2,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-1H-6,13-methanodipyrido[1,2-a:3',2'-e]az
Specifications & Purity
10mM in Water
Biochemical and Physiological Mechanisms
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
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
INCHI
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
InChIKey
SKOLRLSBMUGVOY-GBJTYRQASA-N
Smiles
C1CCN2CC3CC(C2C1)C=C4C3NCCC4
Isomeric SMILES
C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C=C4[C@H]3NCCC4
Molecular Weight
232.36
Reaxy-Rn
8212917
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8212917&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO: 2 mg/mL, clear
Sensitivity
Sensitive to humidity
Specific Rotation[α]
73°～ 89°
Melt Point(°C)
67-72（°C）
Molecular Weight
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
Citations of This Product
1.
Li Hui, Ma Chunxia, Gao Meng, Li Yong, Xie Lei, Zhao Dantong, Zhang Runhao, Zhang Guanhua, Li Wenhan, Rong Rong, Kong Biao.
(2022)
Ti3C2(OH)x-assisted LDI-TOF-MS for the rapid analysis of natural small molecules. ANALYTICAL AND BIOANALYTICAL CHEMISTRY,
414
(29):
(8447-8461).
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1 Citations