Hypocrellin A - 10mM in DMSO , CAS No.77029-83-5

CAS: 77029-83-5 Cat. No.: H425894 Peso molecular: 546.52

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS040758769 | FT-0777753 | acetyl-trihydroxy-tetramethoxy-methyl-[?]dione | 1-Acetyl-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-5,12-dione | (12R,13S)-12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-m

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Hypocrellin A, a naturally occurring PKC inhibitor, has many biological and pharmacological properties, such as antitumour, antiviral, antibacterial, and antileishmanial activities. Hypocrellin A is a promising photosensitizer for anticancer photodynamic therapy (PDT).

Specifications

Sinónimos

AKOS040758769 | FT-0777753 | acetyl-trihydroxy-tetramethoxy-methyl-[?]dione | 1-Acetyl-2, 6, 11-trihydroxy-4, 8, 9, 13-tetramethoxy-2-methyl-2, 3-dihydro-1H-cyclohepta[ghi]perylene-5, 12-dione | (12R, 13S)-12-acetyl-9, 13, 17-trihydroxy-5, 10, 16, 21-tetramethoxy-13-m

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Potent PKC inhibitor. Photosensitizing agent. Potent antileishmanial agent. Selective class II-MHC restricted presentation of exogenous antigen inhibitor. Shows antitumor, antifungal and antiviral effects in vivo.

Condiciones de almacenamiento de almacenamiento

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.

Nombres e identificadores

• Sonrisas canónicas: CC(=O)C1C2=C3C4=C(CC1(C)O)C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC
• IUPAC Name: 12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione
• InChIKey: VANSZAOQCMTTPB-UHFFFAOYSA-N
• INCHI: 1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,34-36H,9H2,1-6H3
• Isómeros SMILES: CC(=O)C1C2=C3C4=C(CC1(C)O)C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC
• Peso molecular: 546.52
• Reaxy-Rn: 7897946
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7897946&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Perylenequinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Perylenequinones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Perylenequinones
• Alternative Parents: Phenanthrols Anthracenes Naphthols and derivatives Anisoles Alkyl aryl ethers Vinylogous esters Vinylogous acids Tertiary alcohols Ketones Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Perylenequinone - Phenanthrol - Anthracene - Phenanthrene - 1-naphthol - 2-naphthol - Anisole - Alkyl aryl ether - Vinylogous ester - Vinylogous acid - Tertiary alcohol - Ketone - Polyol - Ether - Alcohol - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as perylenequinones. These are heterocyclic compounds characterized by two 8-hydroxy-1,4-dihydronaphthalen-1-one moieties joined together one or two CC-bonds.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 546.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 546.153 Da
• Monoisotopic Mass: 546.153 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1