Ammothamnine - ≥98% (HPLC) , CAS No.16837-52-8

CAS: 16837-52-8 Cat. No.: A111286 Formula: C₁₅H₂₄N₂O₂ Peso molecolare: 264.36 Numero EC: 605-514-4

QUALITÀ & PUREZZA ≥98%(HPLC)

Synonyms

Pachycarpidine | BDBM50597716 | Oxymatrine | BBL030371 | MLS001215101 | rel-(41S,7aS,13aR,13bR)-10-Oxohexadecahydrodipyrido[2,1-f:3',2',1'-ij][1,6]naftiridina 4-ossido | Matrina 1beta-ossido | Ammothamnina | SCHEMBL13394285 | Ossiforidina | DTXSID409374

Storage

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Shipped In

Ghiaccio umido

Panoramica

Alcaloide isolato da Sophora flavescens. Antifribotico.

Specifiche

Sinonimi

Pachycarpidine | BDBM50597716 | Oxymatrine | BBL030371 | MLS001215101 | rel-(41S,7aS,13aR,13bR)-10-Oxohexadecahydrodipyrido[2,1-f:3',2',1'-ij][1,6]naftiridina 4-ossido | Matrina 1beta-ossido | Ammothamnina | SCHEMBL13394285 | Ossiforidina | DTXSID409374

Specifiche e purezza

≥98% (HPLC)

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

508814015

Sorrisi canonici

C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]

IUPAC Name

(1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

InChIKey

XVPBINOPNYFXID-LHDUFFHYSA-N

INCHI

1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1

Isomeri SMILES

C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]

Peso molecolare

264.36

Reaxy-Rn

753307

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=753307&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Lupin alkaloids
      • Subclass Matrine alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Lupin alkaloids
• Subclass: Matrine alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Matrine alkaloids
• Alternative Parents: Quinolizidinones Naphthyridines Piperidinones Delta lactams Trialkyl amine oxides Tertiary carboxylic acid amides Trisubstituted amine oxides and derivatives Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Matrine - Quinolizidinone - Diazanaphthalene - Naphthyridine - Quinolizidine - Delta-lactam - Piperidinone - Piperidine - Trialkyl amine oxide - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - N-oxide - Carboxylic acid derivative - Trisubstituted n-oxide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Aliphatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as matrine alkaloids. These are lupin alkaloids with a structure based on the matrine skeleton, a four-ring skeleton that based on a saturated dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one skeleton.
• External Descriptors: Quinolizidine alkaloids

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

Obiettivi associati (umani)

MAOA Tclin Monoamine oxidase A (11911 Activities)

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HepG2 (196354 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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Hepatitis B virus (7925 Activities)

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Coxsackievirus B3 (1096 Activities)

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Influenza A virus (11224 Activities)

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Enterovirus A71 (1246 Activities)

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MDCK (10148 Activities)

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Blood (6 Activities)

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Tgfbr1 TGF-beta receptor type-1 (52 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: light & air & heat sensitive
• Punto di fusione (°C): 206℃
• Peso molecolare: 264.360 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 264.184 Da
• Monoisotopic Mass: 264.184 Da
• Topological Polar Surface Area: 38.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 400.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1