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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Camobucol (AGIX 4207) is an orally active, phenolic antioxidant and anti-inflammatory compound with antirheumatic properties.
In Vitro
Camobucol exhibits potent antioxidant activity toward lipid peroxides in vitro and displays enhanced cellular uptake. Camobucol selectively inhibits tumor necrosis factor (TNF)-α-inducible levels of the redox-sensitive genes, vascular cell adhesion molecule-1 and monocyte chemoattractant protein-1, with less inhibition of E-selectin, and no effect on intracellular adhesion molecule-1 expression in endothelial cells. In addition, Camobucol inhibits cytokine-induced levels of monocyte chemoattractant protein-1, interleukin (IL)-6, and IL-8 from endothelial cells and human fibroblast-like synoviocytes as well as lipopolysaccharide-induced release of TNF-α, IL-1β, and IL-6 from human peripheral blood mononuclear cells. Camobucol does not inhibit TNF-α-induced nuclear translocation of nuclear factor of the κ-enhancer in B cells (NF-κB), suggesting that the mechanism of action is independent of this redox-sensitive transcription factor. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| 정식 스마일 | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OCC(=O)O)C(C)(C)C |
|---|---|
| IUPAC Name | 2-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]acetic acid |
| InChIKey | FGBGXESDYFKUFX-UHFFFAOYSA-N |
| INCHI | 1S/C33H50O4S2/c1-29(2,3)22-15-20(16-23(27(22)36)30(4,5)6)38-33(13,14)39-21-17-24(31(7,8)9)28(37-19-26(34)35)25(18-21)32(10,11)12/h15-18,36H,19H2,1-14H3,(H,34,35) |
| 이성체 SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OCC(=O)O)C(C)(C)C |
| 대체 CAS | 216167-92-9 |
| PubChem CID | 9875498 |
| MeSH 용어 | (4-((1-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-1-methylethyl)thio)-2,6-bis(1,1-dimethylethyl)phenoxy)acetic acid;AGIX 4207;AGIX-4207;AGIX4207;camobucol;ylgucpd100bdh |
| 분자량 | 574.88 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Phenoxyacetic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxyacetic acid derivatives |
| Alternative Parents | Phenylpropanes Thiophenol ethers Phenoxy compounds Phenol ethers Phenols Dithioketals Alkylarylthioethers Alkyl aryl ethers Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxyacetate - Phenylpropane - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Dithioketal - Phenol - Alkylarylthioether - Thioacetal - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 분자량 | 574.900 g/mol |
|---|---|
| XLogP3 | 11.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 574.315 Da |
| Monoisotopic Mass | 574.315 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 764.000 |
| 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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