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

CAS: 1416324-85-0 Cat. No.: C421541 分子式: C₁₉H₂₂O₇ 分子量: 362.37 EC番号: 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

同義語

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

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

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.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

• パブケム・シド: 528763829
• カノニカル・スマイル: 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)
• 異性体SMILES: CCCCCCOC(=O)C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)OC)O
• WGKドイツ: 3
• 分子量: 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
    • 分類 Tropones
      • Subclass Tropolones

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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

参考文献

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]