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CU CPT 22 - ≥98%(HPLC), high purity , CAS No.1416324-85-0

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1416324-85-0
Molecular Weight: 362.37
PubChem CID: 71503400
PubChem SID: 504772145

In stock

Item Number

C288833

Grouped product items
SKU	Size	Availability	Price
C288833-5mg	5mg	3	$127.90
C288833-10mg	10mg	3	$216.90
C288833-25mg	25mg	2	$414.90
C288833-50mg	50mg	2	$662.90
C288833-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,038.90

Selective TLR1/2 inhibitor

View related series

Immunology/Inflammation (1929) Toll-like Receptor (TLR) (148)

Basic Description

Synonyms	3,4,6-Trihydroxy-2-methoxy-5-oxo-5H-benzocycloheptene-8-carboxylic acid hexyl ester \| hexyl 3,4,5-trihydroxy-2-methoxy-6-oxo-6H-benzo[7]annulene-8-carboxylate
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	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.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbon derivatives
  - Class Tropones
    - Subclass Tropolones

Kingdom	Organic compounds
Superclass	Hydrocarbon derivatives
Class	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
Description	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
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

Names and Identifiers

Pubchem Sid	504772145
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772145
IUPAC Name	hexyl 3,4,5-trihydroxy-2-methoxy-6-oxobenzo[7]annulene-8-carboxylate
INCHI	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)
InChIKey	UBQFTTUFRSSOHE-UHFFFAOYSA-N
Smiles	CCCCCCOC(=O)C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)OC)O
Isomeric SMILES	CCCCCCOC(=O)C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)OC)O
WGK Germany	3
Molecular Weight	362.37
Reaxy-Rn	35435054
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35435054&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
B2308165	Certificate of Analysis	Oct 12, 2022	C288833
B2308214	Certificate of Analysis	Oct 12, 2022	C288833
B2308166	Certificate of Analysis	Oct 12, 2022	C288833
B2308168	Certificate of Analysis	Oct 12, 2022	C288833
B2308162	Certificate of Analysis	Oct 12, 2022	C288833

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 36.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 18.12, Max Conc. mM: 50
Molecular Weight	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 Å²
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

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