CAS 1241-87-8|Cyclohexanecarboxylicacid
Introduction：Basic information about CAS 1241-87-8|Cyclohexanecarboxylicacid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Cyclohexanecarboxylicacid | ||
|---|---|---|---|
| CAS Number | 1241-87-8 | Molecular Weight | 354.309 |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 636.2±55.0 °C at 760 mmHg |
| Molecular Formula | C16H18O9 | Melting Point | / |
| MSDS | / | Flash Point | 234.5±25.0 °C |
Names
| Name | 1-Caffeoylquinic acid |
|---|---|
| Synonym | More Synonyms |
Cyclohexanecarboxylicacid BiologicalActivity
| 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 |
| InChIKey | GWTUHAXUUFROTF-YMQLDNTMSA-N |
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1 |
Synonyms
| (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 |
