Isochlorogenic acid C structure, CAS 57378-72-0

Isochlorogenic acid C

CAS Number57378-72-0

Synonyms4,5-di-O-trans-caffeoyl-D-quinic acid; 4,5-Dinitrophenanthren; Isochlorogenic acid C; N1748; 4,5-di-O-caffeoylquinic acid; 4,5-di-O-trans-caffeoylquininc acid; Phenanthrene,4,5-dinitro; 4,5-Dicaffeoylquinic acid

Molecular FormulaC25H24O12

Molecular Weight516.45

Purity≥85 (LC/MS-ELSD)%

Density1.6±0.1 g/cm3

Boiling Point810.8±65.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancesolid

EINECS

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Cat. No.: 2A-9044815 Purity: ≥85 (LC/MS-ELSD)%
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Quality Control of [ 57378-72-0 ] Purity: ≥85 (LC/MS-ELSD)% SDS Specification MoL

Chemical & Physical Properties
CAS Number57378-72-0
Catalog No.2A-9044815
Chinese Name异绿原酸C(4,5)
Synonyms4,5-di-O-trans-caffeoyl-D-quinic acid; 4,5-Dinitrophenanthren; Isochlorogenic acid C; N1748; 4,5-di-O-caffeoylquinic acid; 4,5-di-O-trans-caffeoylquininc acid; Phenanthrene,4,5-dinitro; 4,5-Dicaffeoylquinic acid
Molecular FormulaC25H24O12
Molecular Weight516.45
Purity≥85 (LC/MS-ELSD)
Density1.6±0.1 g/cm3
Boiling Point810.8±65.0 °C at 760 mmHg
Appearancesolid
Storage Condition-20°C
ApplicationIsochlorogenic acid C (4,5-Dicaffeoylquinic acid) is a natural compound that has the potential to protect the liver and fight hepatitis B.
PubChem ID329824879
MDL NumberMFCD10566623
SMILESO[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O
InChI1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
InChI KeyUFCLZKMFXSILNL-RVXRWRFUSA-N
NACRES CodeNA.25
UNSPSC12352205
Hazard Symbolstransportation
MSDSmsds/44815_1_57378_72_0.pdf
Bioactivity4,5-Dicaffeoylquinic acid ( Isochlorogenic acid C) possesses potent hepatoprotective and anti-HBV effects.IC50 value:Target: Anti-hepatitis natural produce.In vitro: To study anti-hepatitis effect of isochlorogenic acid C, anti-apoptotic and anti-injury properties of test compound were evaluated. The results showed that test compound at concentrations of 10 to 100 μg/ml significantly reduced the caspase-3 and transformed growth factor β1 (TGFβ1) levels of the D-GalN-challenged hepatocytes. Also, test compound improved markedly cell viability of the D-GalN-injured hepatocytes and produced a maximum protection rate of 47.28% at a concentration of 100 μg/ml. Furthermore, test compound significantly inhibited productions of HBsAg and HBeAg. Its maximum inhibitory rates on the HBsAg and HBeAg expressions were 86.93 and 59.79%, respectively. In addition, test compound significantly induced the HO-1 expression of HepG2.2.15 cells [1]. In vivo: Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Infection Natural Products >> Phenylpropanoids References [1]. Shaoqing Hu, et al.Evaluation of anti-apoptotic, anti-injury and antihepatitis B virus effects of isochlorogenic acid C in vitro. Journal of Medicinal Plants Research Vol. 6(16), pp. 3199-3206 30 April, 2012 Chemical & Physical Properties Density 1.6±0.1 g/cm3 Boiling Point 810.8±65.0 °C at 760 mmHg Molecular Formula C25H24O12 Molecular Weight 516.451 Flash Point 274.9±27.8 °C Exact Mass 516.126770 PSA 211.28000 LogP 0.89 Vapour Pressure 0.0±3.0 mmHg at 25°C Index of Refraction 1.719 Storage condition -20°C
Use ofProperties Name (1R,3R,4S,5R)-1,5-Dihydroxy-3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1-cyclohexanecarboxylic acid Synonym More Synonyms Isochlorogenic acid C(4,5) Biological Activity Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Infection Natural Products >> Phenylpropanoids References [1]. Shaoqing Hu, et al.Evaluation of anti-apoptotic, anti-injury and antihepatitis B virus effects of isochlorogenic acid C in vitro. Journal of Medicinal Plants Research Vol. 6(16), pp. 3199-3206 30 April, 2012 Chemical & Physical Properties Molecular Formula C25H24O12 Exact Mass 516.126770 PSA 211.28000 Index of Refraction 1.719
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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