CU CPT 22 - 10mM in DMSO , CAS No.1416324-85-0

CAS: 1416324-85-0 Cat. No.: C421541 Peso molecular: 362.37 Número EC: 802-718-7

GRADE & PURITY 10mM in DMSO

Synonyms

3,4,6-Trihydroxy-2-methoxy-5-oxo-5H-benzocycloheptene-8-carboxylic acid hexyl ester

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

3, 4, 6-Trihydroxy-2-methoxy-5-oxo-5H-benzocycloheptene-8-carboxylic acid hexyl ester

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Selective toll-like receptor 1/2 (TLR1/2) inhibitor (IC50= 0.58μM). Exhibits no activity at TLR2/TLR6, TLR3, TLR4 and TLR7 or a panel of 10 representative kinases. Inhibits the release of proinflammatory cytokines TNF-αand IL-1β.

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.

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CCCCCCOC(=O)C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)OC)O
• IUPAC Name: hexyl 3,4,5-trihydroxy-2-methoxy-6-oxobenzo[7]annulene-8-carboxylate
• InChIKey: UBQFTTUFRSSOHE-UHFFFAOYSA-N
• INCHI: 1S/C19H22O7/c1-3-4-5-6-7-26-19(24)12-8-11-10-14(25-2)17(22)18(23)15(11)16(21)13(20)9-12/h8-10,22-23H,3-7H2,1-2H3,(H,20,21)
• Isómeros SMILES: CCCCCCOC(=O)C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)OC)O
• WGK Alemania: 3
• Peso molecular: 362.37
• Reaxy-Rn: 35435054
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35435054&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives
    • Clase Tropones
      • Subclass Tropolones

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Clase: Tropones
• Subclass: Tropolones
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropolones
• Alternative Parents: Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Cyclic ketones Carboxylic acid esters Polyols Organic oxides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tropolone - Anisole - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Cyclic ketone - Carboxylic acid ester - Ether - Carboxylic acid derivative - Polyol - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 2.
• 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

Propiedades químicas y físicas

• Peso molecular: 362.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 362.137 Da
• Monoisotopic Mass: 362.137 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 763.000
• 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

Referencias

1. Xu-Han Liu, Zhe Zhai, Ling-Ling Tao, Nan-Yu Chen, Yong-Xian Cheng.  (2026)  Virus-inspired Ganoderma lucidum polysaccharide-functionalized adjuvant with pseudo-zwitterionic interface for potentiated nasal immunization.  CARBOHYDRATE POLYMERS,      [PMID:] [10.1016/j.carbpol.2026.125183]