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

CAS: 56293-29-9 Cat. No.: A580295 분자식: C₁₅H₂₄N₂ 분자량: 232.36 EC 번호: 637-202-9

GRADE & PURITY 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

Specifications

동의어

(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

사양 및 순도

10mM in Water

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528775217
• 정식 스마일: 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
• 이성체 SMILES: C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C=C4[C@H]3NCCC4
• 분자량: 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
    • 분류 Lupin alkaloids
      • Subclass Aloperine and related alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 분류: 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
• 설명: 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

관련 대상(인간)

MT4 (17854 Activities)

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HEK-293T (167025 Activities)

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관련 대상(비인간)

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)

Discover Target: rep

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Marburgvirus (118 Activities)

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SARS-CoV-2 (38078 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO: 2 mg/mL, clear
• 감도: Sensitive to humidity
• 특정 회전[α]: 73°～ 89°
• 녹는점(°C): 67-72（ °C）
• 분자량: 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

참고 문헌

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).  [PMID:36323886] [10.1007/s00216-022-04382-z]