Hypocrellin A - ≥98% , CAS No.77029-83-5

CAS: 77029-83-5 Cat. No.: H275027 Formule: C₃₀H₂₆O₁₀ Poids moléculaire: 546.52

GRADE & PURITY ≥98%

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 2-8°C

Shipped In

Wet ice

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Note

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.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504750694
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750694
• Sourires canoniques: 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
• Isomères 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
• Poids moléculaire: 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
    • Classe Perylenequinones

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO
• Sensibilité: Light sensitive
• Poids moléculaire: 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