Marinobufogenin - ≥99% , CAS No.470-42-8

CAS: 470-42-8 Cat. No.: M647501 Peso molecular: 400.51 PubChem CID: 11969465

GRADE & PURITY ≥99%

Synonyms

Denopamine (JAN/INN) | UNII-3KBT25GV2B | CLOCORTOLONE (USP-RS) | CHEBI:146151 | MARCINOBUFAGIN | Bufa-20,22-dienolide, 14,15-epoxy-3,5-dihydroxy-, (3.beta.,5.beta.,15.beta.)- | SCHEMBL1483986 | 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,5-dihydroxy

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Marinobufogenin is a strong inhibitor of Na + /K + ATPase that has been identified in mammalian plasma

Form:Solid

IC50& Target:IC50: Na + /K + ATPase

Specifications

Sinónimos

Denopamine (JAN/INN) | UNII-3KBT25GV2B | CLOCORTOLONE (USP-RS) | CHEBI:146151 | MARCINOBUFAGIN | Bufa-20, 22-dienolide, 14, 15-epoxy-3, 5-dihydroxy-, (3.beta., 5.beta., 15.beta.)- | SCHEMBL1483986 | 5beta-Bufa-20, 22-dienolide, 14, 15beta-epoxy-3beta, 5-dihydroxy

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Marinobufogenin is a strong inhibitor of Na + /K + ATPase that has been identified in mammalian plasma.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC12CCC(CC1(CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)O)O
• IUPAC Name: 5-[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
• InChIKey: JMNQTHQLNRILMH-OBBGIPBRSA-N
• INCHI: 1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1
• Isómeros SMILES: C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O
• CAS alternativo: 470-42-8
• PubChem CID: 11969465
• Número NSC: 234205
• Términos de entrada MeSH: marinobufagenin;marinobufogenin
• Peso molecular: 400.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Steroid lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Steroid lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Bufanolides and derivatives
• Alternative Parents: Naphthopyrans Naphthalenes Pyranones and derivatives Oxanes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bufanolide-skeleton - Naphthopyran - Naphthalene - Pyranone - Pyran - Oxane - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Lactone - Secondary alcohol - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (249.68 mM; Need ultrasonic)
• Peso molecular: 400.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 400.225 Da
• Monoisotopic Mass: 400.225 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 833.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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