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

CAS: 548-04-9 Cat. No.: H110188 분자식: C₃₀H₁₆O₈ 분자량: 504.44 Beilstein Registry Number: 1917913 EC 번호: 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

동의어

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

사양 및 순도

Moligand™, ≥96%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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등급

Moligand™

참고

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.

순수함

≥96%

이름과 식별자

Pubchem Sid

504750693

Pubchem Sid Url

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

정식 스마일

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

이성체 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 독일

3

대체 CAS

1372719-41-9,548-04-9

NSC 번호

407313

MeSH 용어

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

분자량

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
    • 분류 Pyrenes
      • Subclass Benzopyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Light sensitive.
• 분자량: 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

자주 묻는 질문

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.