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

CAS: 470-42-8 Cat. No.: M647501 Summenformel: C₂₄H₃₂O₅ Molekulargewicht: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

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

Storage

Protected from light,Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere 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

Alternative CAS-Nummer

470-42-8

PubChem CID

11969465

NSC-Nummer

234205

MeSH-Eintrag

marinobufagenin;marinobufogenin

Molekulargewicht

400.51

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (249.68 mM; Need ultrasonic)
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 470-42-8, the molecular formula is C24H32O5, and the molecular weight is 400.51 g/mol. InChIKey JMNQTHQLNRILMH-OBBGIPBRSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.