Hypericin - Moligand™, ≥96% , CAS No.548-04-9

CAS: 548-04-9 Cat. No.: H110188 Summenformel: C₃₀H₁₆O₈ Molekulargewicht: 504.44 Beilstein Registry Number: 1917913 EG-Nummer: 208-941-0

GRADE & PURITY Moligand™, ≥96%

Synonyms

CCG-36081 | 1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione | 4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethylnaphthodianthrone | hypericin | DTXSID40203270 | Hypericin & Visible light | LMPK13040001 | NCI60_006799 | M01850 | MFCD0001668

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

CCG-36081 | 1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione | 4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethylnaphthodianthrone | hypericin | DTXSID40203270 | Hypericin & Visible light | LMPK13040001 | NCI60_006799 | M01850 | MFCD0001668

Spezifikationen & Reinheit

Moligand™, ≥96%

Biochemische und physiologische Mechanismen

Selective PKC inhibitor (IC 50 = 3.3 μM). Antiviral agent. Potent tyrosine kinase inhibitor (IC 50 = 7.5 μM). Potent CKII inhibitor (IC 50 = 6 nM). Inactivates enveloped viruses including HIV. Promotes VEGF and TGF-β production.

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Note

Moligand™

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

504750693

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750693

Kanonisches Lächeln

CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O

IUPAC Name

9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione

InChIKey

YDOIFHVUBCIUHF-UHFFFAOYSA-N

INCHI

1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3

Isomere SMILES

CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O

WGK Deutschland

3

Alternative CAS-Nummer

1372719-41-9,548-04-9

NSC-Nummer

407313

MeSH-Eintrag

1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro(1,10,9,8-opqra)perylene-7,14-dione;hipericin;hypericin;hypericum red;mono-(123I)iodohypericin;SGX-301;SGX301

Molekulargewicht

504.44

Beilstein

1917913

Reaxy-Rn

35831525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35831525&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Pyrenes
      • Subclass Benzopyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Pyrenes
• Subclass: Benzopyrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzopyrenes
• Alternative Parents: Perylenequinones Triphenylenes Chrysenes Phenanthrols Anthracenes Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzo-e-pyrene - Benzo-a-pyrene - Perylenequinone - Triphenylene - Chrysene - Phenanthrol - Phenanthrene - Anthracene - 1-naphthol - 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
• 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

• Empfindlichkeit: Light sensitive.
• Molekulargewicht: 504.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 504.085 Da
• Monoisotopic Mass: 504.085 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1090.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °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 chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 548-04-9, the molecular formula is C30H16O8, and the molecular weight is 504.44 g/mol. InChIKey YDOIFHVUBCIUHF-UHFFFAOYSA-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.