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

CAS: 548-04-9 Cat. No.: H110188 Fórmula: C₃₀H₁₆O₈ Peso molecular: 504.44 Beilstein Registry Number: 1917913 Número CE: 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

Armazenar a 2-8°C, protegido da luz

Shipped In

Gelo húmido

Specifications

Sinónimos

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

Especificações e pureza

Moligand™, ≥96%

Mecanismos bioquímicos e fisiológicos

Inibidor seletivo da PKC (IC 50 = 3,3 μM). Agente antiviral. Potente inibidor da tirosina quinase (IC 50 = 7,5 μM). Potente inibidor da CKII (IC 50 = 6 nM). Inativa os vírus com envelope, incluindo o VIH. Promove a produção de VEGF e de TGF-β.

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, protegido da luz

Enviado em

Gelo húmido

Grau

Moligand™

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504750693

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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 Alemanha

3

CAS alternativo

1372719-41-9,548-04-9

Número NSC

407313

Termos de entrada MeSH

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

Peso molecular

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
    • Classe Pyrenes
      • Subclass Benzopyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive.
• Peso molecular: 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

Perguntas frequentes

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.