21182-47-8

Basic information

• Product Name: 2,5-dihydroxy-3-octyl-2,5-cyclohexadiene-1,4-dione
• Synonyms: 2,5-dihydroxy-3-octyl-2,5-cyclohexadiene-1,4-dione
• CAS NO: 21182-47-8
• Molecular Weight: 252.31
• Mol File: 21182-47-8.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 2,5-dihydroxy-3-octyl-2,5-cyclohexadiene-1,4-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-dihydroxy-3-octyl-2,5-cyclohexadiene-1,4-dione(21182-47-8)
• EPA Substance Registry System: 2,5-dihydroxy-3-octyl-2,5-cyclohexadiene-1,4-dione(21182-47-8)

Safety Data

• Hazardous Substances Data: 21182-47-8(Hazardous Substances Data)

Upstream product

• 20491-91-2 2,4,5-trimethoxyphenol 
• 4460-86-0 asaraldehyde 
• 111-83-1 1-bromo-octane 
• 2441-46-5 1,2,4,5-tetramethoxybenzene 
• 1609067-61-9 C₂₀H₃₀O₄ 
• 636-32-8 1,2,4,5-benzenetetrol 
• 67820-74-0 2,2,6,6-tetramethylbenzo[1,2-d;4,5-d¹]bis[1,3]dioxole 
• 615-94-1 2,5-dihydroxy-1,4-benzoquinone 
• 150-78-7 1,4-dimethoxybezene 
• 111-64-8 n-octanoic acid chloride 
• 21182-43-4 2-Octyl-benzochinon-(1,4) 
• 21182-58-1 2-Hydroxy-5-octanoyloxy-octanophenon 
• 4693-19-0 1-(2,5-dihydroxyphenyl)-1-octanone 
• 1706-69-0 n-octylhydroquinone 

Relevant articles and documents

Modular synthesis and antiproliferative activity of new dihydro-1H-pyrazolo[1,3-b]pyridine embelin derivatives

A set of new dihydro-1H-pyrazolo[1,3-b]pyridine and pyrazolo[1,3-b]pyridine embelin derivatives was synthesized through a multicomponent reaction from natural embelin, 3-substituted-5-aminopyrazoles and aldehydes. The synthesized compounds were evaluated against three hematologic tumor cell lines, HEL (acute erythroid leukemia), K-562 (chronic myeloid leukemia) and HL-60 (acute myeloid leukemia), and five breast cancer cell lines (SKBR3, MCF-7, MDA-MB-231, BT-549, HS-578T). The primate non-malignant kidney Vero cell line was used as the control of cytotoxicity. From the obtained results, some structure–activity relationships were out-lined. Furthermore, in silico prediction of physicochemical properties and ADME parameters were determined for the derivatives with the best antiproliferative values.

The benzoquinone derivatives and their use

The invention provides a p-benzoquinone derivative and an application thereof. The p-benzoquinone derivative has the inhibitory activity on a plasminogen activator inhibitor-1 (PAI-1); on cellular level, the compound can inhibit the transfer ability of HepG2 liver cancer cells; and in-vitro experiments show that the compound has an inhibition effect on formation of fibrin clots. The p-benzoquinone derivative can be used as a medicine for treating tumors and thrombotic diseases.

Design, synthesis, and SAR of embelin analogues as the inhibitors of PAI-1 (plasminogen activator inhibitor-1)

The natural product embelin was found to have PAI-1 inhibitory activity with the IC50 value of 4.94 μM. Based on the structure of embelin, a series of analogues were designed, synthesized, and evaluated for their ability to inhibit PAI-1. The SAR study on these compounds disclosed that the inhibitory potency largely depended on the hydroxyl groups at C2 and C5, and the length of the alkyl chains at C3 and C6. Compound 11 displayed the best PAI-1 inhibitory potency with the IC50 value of 0.18 μM.