Cyclohexanecarboxylicacid

Names

[ Name ]:
Cyclohexanecarboxylicacid

[Synonym ]:
(1S,3R,4S,5R)-1-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4,5-trihydroxycyclohexanecarboxylic acid
Cyclohexanecarboxylicacid
(1S,3R,4S,5R)-1-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 1-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-, (1α,3α,4α,5β)-
1-O-caffeoylquinic acid
1-Kaffeylchinasaeure

Biological Activity

[Description]:

1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].

[Related Catalog]:

Research Areas >> Cancer

[Target]

Ki: 0.002 μM (1-Caffeoylquinic acid)[1]

[References]

[1]. Khan MK, et al. Dietary phytochemicals as potent chemotherapeutic agents against breast cancer: Inhibition of NF-κB pathway via molecular interactions in rel homology domain of its precursor protein p105. Pharmacogn Mag. 2013 Jan;9(33):51-7.

[2]. Jiang Y, et al. Caffeoylquinic acid derivatives rich extract from Gnaphalium pensylvanicum willd. Ameliorates hyperuricemia and acute gouty arthritis in animal model. BMC Complement Altern Med. 2017 Jun 17;17(1):320.

[3]. Han Y, et al. PD-1/PD-L1 inhibitor screening of caffeoylquinic acid compounds using surface plasmon resonance spectroscopy. Anal Biochem. 2018 Apr 15;547:52-56.

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
636.2±55.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₆H₁₈O₉

[ Molecular Weight ]:
354.309

[ Flash Point ]:
234.5±25.0 °C

[ Exact Mass ]:
354.095093

[ PSA ]:
164.75000

[ LogP ]:
0.06

[ Vapour Pressure ]:
0.0±2.0 mmHg at 25°C

[ Index of Refraction ]:
1.690

Related Compounds

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